Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 44271661 | 161796 | 0 | None | 1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL414185 | 161796 | 0 | None | 1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44271661 | 161796 | 0 | None | 1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL414185 | 161796 | 0 | None | 1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44271661 | 161796 | 0 | None | 1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL414185 | 161796 | 0 | None | 1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 10934575 | 204486 | 0 | None | -3 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72441 | 204486 | 0 | None | -3 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11109088 | 204180 | 0 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70751 | 204180 | 0 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 2146 | 3100 | 67 | None | -1 | 14 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| 485 | 3100 | 67 | None | -1 | 14 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| 6041 | 3100 | 67 | None | -1 | 14 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL1215 | 3100 | 67 | None | -1 | 14 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| DB00388 | 3100 | 67 | None | -1 | 14 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| 44362195 | 121089 | 0 | None | -2 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL357129 | 121089 | 0 | None | -2 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10198532 | 207696 | 0 | None | -1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95523 | 207696 | 0 | None | -1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493352 | 48274 | 0 | None | -4 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL155326 | 48274 | 0 | None | -4 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11140347 | 204533 | 1 | None | 1 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72768 | 204533 | 1 | None | 1 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11108001 | 10872 | 2 | None | -1 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL117248 | 10872 | 2 | None | -1 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL540542 | 10872 | 2 | None | -1 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44362286 | 98886 | 1 | None | -7 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1coc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL279136 | 98886 | 1 | None | -7 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1coc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44343236 | 111364 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 243 | 4 | 1 | 5 | 1.7 | c1ccc(-c2ccno2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL327005 | 111364 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 243 | 4 | 1 | 5 | 1.7 | c1ccc(-c2ccno2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 1960 | 2857 | 67 | None | -812 | 18 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 439260 | 2857 | 67 | None | -812 | 18 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 505 | 2857 | 67 | None | -812 | 18 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| CHEMBL1437 | 2857 | 67 | None | -812 | 18 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| DB00368 | 2857 | 67 | None | -812 | 18 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 2146 | 3100 | 67 | None | -1230 | 14 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 485 | 3100 | 67 | None | -1230 | 14 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 6041 | 3100 | 67 | None | -1230 | 14 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| CHEMBL1215 | 3100 | 67 | None | -1230 | 14 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| DB00388 | 3100 | 67 | None | -1230 | 14 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 44574935 | 172622 | 0 | None | -57 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL449284 | 172622 | 0 | None | -57 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44369431 | 45355 | 0 | None | -131 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccsc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152693 | 45355 | 0 | None | -131 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccsc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44362149 | 33932 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2ccns2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142387 | 33932 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2ccns2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44329133 | 207701 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.5 | CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95565 | 207701 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.5 | CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493379 | 208126 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 260 | 5 | 3 | 4 | 1.2 | CC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL98016 | 208126 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 260 | 5 | 3 | 4 | 1.2 | CC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 11000184 | 13052 | 0 | None | -4 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1190038 | 13052 | 0 | None | -4 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540035 | 13052 | 0 | None | -4 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10221005 | 204322 | 0 | None | -72 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL71479 | 204322 | 0 | None | -72 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 44362146 | 164934 | 1 | None | -63 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL422477 | 164934 | 1 | None | -63 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44329790 | 112546 | 0 | None | -12 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 247 | 5 | 2 | 5 | 1.3 | CCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL329928 | 112546 | 0 | None | -12 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 247 | 5 | 2 | 5 | 1.3 | CCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44574986 | 189210 | 0 | None | -42 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 202 | 1 | 0 | 2 | 2.4 | Fc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL511411 | 189210 | 0 | None | -42 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 202 | 1 | 0 | 2 | 2.4 | Fc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 6604803 | 116518 | 2 | None | -35 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL336161 | 116518 | 2 | None | -35 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 44362196 | 34488 | 1 | None | -7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2nccs2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142871 | 34488 | 1 | None | -7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2nccs2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493367 | 66185 | 0 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 298 | 7 | 2 | 6 | 2.2 | CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18436 | 66185 | 0 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 298 | 7 | 2 | 6 | 2.2 | CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493224 | 208345 | 4 | None | -15 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 246 | 5 | 3 | 4 | 0.9 | CCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL99362 | 208345 | 4 | None | -15 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 246 | 5 | 3 | 4 | 0.9 | CCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 9816986 | 164139 | 0 | None | -21 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL421011 | 164139 | 0 | None | -21 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 9816986 | 164139 | 0 | None | -21 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL421011 | 164139 | 0 | None | -21 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| 9816986 | 164139 | 0 | None | -21 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL421011 | 164139 | 0 | None | -21 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 11108001 | 10872 | 2 | None | -1 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117248 | 10872 | 2 | None | -1 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540542 | 10872 | 2 | None | -1 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44343410 | 11555 | 2 | None | -4 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL118055 | 11555 | 2 | None | -4 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44329796 | 208379 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 275 | 7 | 2 | 5 | 2.1 | CCCCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL99559 | 208379 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 275 | 7 | 2 | 5 | 2.1 | CCCCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 9903313 | 172678 | 0 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL450018 | 172678 | 0 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 10199052 | 207954 | 0 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL97044 | 207954 | 0 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 11098175 | 204170 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL70691 | 204170 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 22493280 | 48275 | 0 | None | -4 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL155327 | 48275 | 0 | None | -4 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44362208 | 35433 | 1 | None | -3 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1csc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL143801 | 35433 | 1 | None | -3 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1csc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493392 | 47155 | 0 | None | -5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL154298 | 47155 | 0 | None | -5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44343247 | 110635 | 0 | None | -56 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL325745 | 110635 | 0 | None | -56 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 22493265 | 62134 | 0 | None | -25 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 284 | 6 | 2 | 6 | 1.8 | CCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17776 | 62134 | 0 | None | -25 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 284 | 6 | 2 | 6 | 1.8 | CCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 4038180 | 204 | 14 | None | -54 | 5 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 480 | 204 | 14 | None | -54 | 5 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL109783 | 204 | 14 | None | -54 | 5 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 22493257 | 207646 | 3 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 272 | 4 | 2 | 4 | 1.3 | O=C(c1ccccc1NCC1=NCCN1)N1CCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95245 | 207646 | 3 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 272 | 4 | 2 | 4 | 1.3 | O=C(c1ccccc1NCC1=NCCN1)N1CCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 9816460 | 119893 | 0 | None | -74 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL349082 | 119893 | 0 | None | -74 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 124 | 2981 | 47 | None | -323 | 24 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 2032 | 2981 | 47 | None | -323 | 24 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 4636 | 2981 | 47 | None | -323 | 24 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| CHEMBL762 | 2981 | 47 | None | -323 | 24 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| DB00935 | 2981 | 47 | None | -323 | 24 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 22493343 | 63971 | 0 | None | -19 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 256 | 4 | 2 | 6 | 0.9 | Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18069 | 63971 | 0 | None | -19 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 256 | 4 | 2 | 6 | 0.9 | Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44271932 | 65211 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18256 | 65211 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44369434 | 45381 | 0 | None | -17 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.7 | Cc1ccc(-c2ccccc2NCC2=NCCN2)o1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152725 | 45381 | 0 | None | -17 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.7 | Cc1ccc(-c2ccccc2NCC2=NCCN2)o1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44362194 | 34382 | 1 | None | -10 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1ccc(-c2ccoc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142784 | 34382 | 1 | None | -10 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1ccc(-c2ccoc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493236 | 60396 | 0 | None | -6 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 3 | 5 | 0.9 | c1ccc(-c2nc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17491 | 60396 | 0 | None | -6 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 3 | 5 | 0.9 | c1ccc(-c2nc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493258 | 98664 | 0 | None | -5 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL277375 | 98664 | 0 | None | -5 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44369351 | 119602 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 257 | 4 | 2 | 4 | 2.8 | c1csc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL346380 | 119602 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 257 | 4 | 2 | 4 | 2.8 | c1csc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 9816515 | 62978 | 0 | None | -15 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17856 | 62978 | 0 | None | -15 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| 11097789 | 102998 | 1 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL306792 | 102998 | 1 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11034737 | 204528 | 0 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72724 | 204528 | 0 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 22493318 | 44757 | 0 | None | -13 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 241 | 4 | 2 | 4 | 2.4 | c1coc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152155 | 44757 | 0 | None | -13 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 241 | 4 | 2 | 4 | 2.4 | c1coc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44449245 | 95413 | 0 | None | -11 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2ccn[nH]2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL256983 | 95413 | 0 | None | -11 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2ccn[nH]2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 10859076 | 13682 | 0 | None | -12 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1194763 | 13682 | 0 | None | -12 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL553276 | 13682 | 0 | None | -12 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9947861 | 204162 | 0 | None | -21 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70634 | 204162 | 0 | None | -21 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 2765 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| 515 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL13852 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| DB09202 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| 2765 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| 515 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL13852 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| DB09202 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493263 | 98084 | 0 | None | -50 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 270 | 5 | 2 | 6 | 1.4 | CCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL273316 | 98084 | 0 | None | -50 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 270 | 5 | 2 | 6 | 1.4 | CCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 2765 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| 515 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL13852 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| DB09202 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| 2765 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 515 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL13852 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| DB09202 | 943 | 19 | None | -4 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44329703 | 208162 | 0 | None | -7 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 275 | 4 | 2 | 5 | 2.1 | CC(C)(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL98243 | 208162 | 0 | None | -7 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 275 | 4 | 2 | 5 | 2.1 | CC(C)(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44362288 | 35629 | 1 | None | -251 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 254 | 4 | 1 | 5 | 1.5 | c1ccc(-c2cnccn2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL143973 | 35629 | 1 | None | -251 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 254 | 4 | 1 | 5 | 1.5 | c1ccc(-c2cnccn2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493359 | 121688 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 257 | 4 | 2 | 6 | 1.5 | Cc1nc(-c2ccccc2NCC2=NCCN2)no1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL358685 | 121688 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 257 | 4 | 2 | 6 | 1.5 | Cc1nc(-c2ccccc2NCC2=NCCN2)no1 | 10.1016/s0960-894x(01)00822-8 | ||
| 9838376 | 168300 | 0 | None | -15 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.5 | Cc1nc(-c2ccccc2NCC2=NCCN2)cs1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL434074 | 168300 | 0 | None | -15 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.5 | Cc1nc(-c2ccccc2NCC2=NCCN2)cs1 | 10.1016/s0960-894x(01)00822-8 | ||
| 1028 | 291 | 71 | None | -3 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| 139148732 | 291 | 71 | None | -3 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| 479 | 291 | 71 | None | -3 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| 5816 | 291 | 71 | None | -3 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| CHEMBL679 | 291 | 71 | None | -3 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| DB00668 | 291 | 71 | None | -3 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| 44574078 | 178761 | 0 | None | -758 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL468711 | 178761 | 0 | None | -758 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 22493289 | 49688 | 0 | None | -9 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL156661 | 49688 | 0 | None | -9 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| 9795167 | 107494 | 0 | None | -7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL318544 | 107494 | 0 | None | -7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44362150 | 119390 | 0 | None | -15 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 242 | 4 | 2 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL344551 | 119390 | 0 | None | -15 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 242 | 4 | 2 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44362185 | 121029 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL356605 | 121029 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493365 | 98464 | 0 | None | -63 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cn[nH]c2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL275844 | 98464 | 0 | None | -63 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cn[nH]c2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493320 | 4204 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 246 | 4 | 2 | 4 | 0.8 | CN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL100198 | 4204 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 246 | 4 | 2 | 4 | 0.8 | CN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 9795167 | 107494 | 0 | None | -7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL318544 | 107494 | 0 | None | -7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493231 | 207665 | 0 | None | 5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 1.7 | O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95333 | 207665 | 0 | None | 5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 1.7 | O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44329701 | 207678 | 0 | None | 3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 1.9 | CC(C)COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95398 | 207678 | 0 | None | 3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 1.9 | CC(C)COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 17804479 | 95660 | 19 | None | -2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL258007 | 95660 | 19 | None | -2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 11140345 | 204171 | 0 | None | -10 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70692 | 204171 | 0 | None | -10 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44449725 | 96190 | 0 | None | -301 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 264 | 2 | 2 | 2 | 3.2 | Cc1n[nH]cc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL260720 | 96190 | 0 | None | -301 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 264 | 2 | 2 | 2 | 3.2 | Cc1n[nH]cc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 22493349 | 119687 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1cc(-c2ccccc2NCC2=NCCN2)on1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL347268 | 119687 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1cc(-c2ccccc2NCC2=NCCN2)on1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44574134 | 178504 | 0 | None | -331 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL466634 | 178504 | 0 | None | -331 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 145946682 | 167574 | 0 | None | -10 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4225239 | 167574 | 0 | None | -10 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300633 | 167574 | 0 | None | -10 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 123644751 | 140503 | 0 | None | -371 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810005 | 140503 | 0 | None | -371 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123183757 | 140477 | 0 | None | -281 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1cc(F)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809600 | 140477 | 0 | None | -281 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1cc(F)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 127044912 | 140428 | 0 | None | -1318 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 501 | 14 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809093 | 140428 | 0 | None | -1318 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 501 | 14 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123378354 | 140387 | 0 | None | -19 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 493 | 11 | 3 | 5 | 3.0 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808595 | 140387 | 0 | None | -19 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 493 | 11 | 3 | 5 | 3.0 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| 123688273 | 140481 | 0 | None | -39 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 13 | 3 | 6 | 3.2 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809630 | 140481 | 0 | None | -39 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 13 | 3 | 6 | 3.2 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 124018870 | 140411 | 0 | None | -426 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1ccc(F)cc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808896 | 140411 | 0 | None | -426 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1ccc(F)cc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 123475619 | 140491 | 0 | None | -45 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 12 | 3 | 6 | 3.5 | COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809794 | 140491 | 0 | None | -45 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 12 | 3 | 6 | 3.5 | COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 117839022 | 140531 | 0 | None | -645 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810346 | 140531 | 0 | None | -645 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 10034370 | 156992 | 0 | None | -38 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203232 | 156992 | 0 | None | -38 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL407315 | 156992 | 0 | None | -38 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 9913616 | 140383 | 6 | None | -95 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 13 | 3 | 6 | 3.7 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808572 | 140383 | 6 | None | -95 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 13 | 3 | 6 | 3.7 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 10820251 | 96622 | 0 | None | 1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203233 | 96622 | 0 | None | 1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL263434 | 96622 | 0 | None | 1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 10034371 | 165980 | 0 | None | 2 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203235 | 165980 | 0 | None | 2 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL425267 | 165980 | 0 | None | 2 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 44575544 | 173998 | 0 | None | -53 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 794 | 5 | 5 | 13 | 3.0 | CC(C)CC(=O)O[C@H]1/C=C/C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C | 10.1021/np3000359 | ||
| CHEMBL454246 | 173998 | 0 | None | -53 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 794 | 5 | 5 | 13 | 3.0 | CC(C)CC(=O)O[C@H]1/C=C/C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C | 10.1021/np3000359 | ||
| 123437117 | 140369 | 0 | None | -263 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 461 | 12 | 3 | 6 | 2.8 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808417 | 140369 | 0 | None | -263 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 461 | 12 | 3 | 6 | 2.8 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 123472560 | 140494 | 0 | None | -1000 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809840 | 140494 | 0 | None | -1000 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123576734 | 140424 | 0 | None | -38 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 455 | 13 | 3 | 6 | 2.7 | CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809032 | 140424 | 0 | None | -38 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 455 | 13 | 3 | 6 | 2.7 | CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 127044911 | 140448 | 0 | None | -660 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 425 | 12 | 3 | 6 | 2.7 | COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809319 | 140448 | 0 | None | -660 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 425 | 12 | 3 | 6 | 2.7 | COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 9891967 | 107525 | 34 | None | -81 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3187195 | 107525 | 34 | None | -81 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123801568 | 140489 | 0 | None | -100 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 11 | 3 | 7 | 1.9 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809781 | 140489 | 0 | None | -100 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 11 | 3 | 7 | 1.9 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b02023 | ||
| 86344174 | 140468 | 0 | None | -1513 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809490 | 140468 | 0 | None | -1513 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123854385 | 140516 | 0 | None | -223 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810145 | 140516 | 0 | None | -223 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 127044906 | 140418 | 0 | None | -46 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808981 | 140418 | 0 | None | -46 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123752717 | 140470 | 0 | None | -54 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1cc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809500 | 140470 | 0 | None | -54 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1cc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123667086 | 140399 | 0 | None | -107 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 573 | 13 | 3 | 6 | 3.8 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Br)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808726 | 140399 | 0 | None | -107 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 573 | 13 | 3 | 6 | 3.8 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Br)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123204312 | 140472 | 0 | None | -147 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 425 | 11 | 3 | 5 | 2.7 | Cc1cccc(C)c1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809532 | 140472 | 0 | None | -147 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 425 | 11 | 3 | 5 | 2.7 | Cc1cccc(C)c1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 10160408 | 140440 | 0 | None | -18 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 439 | 13 | 3 | 6 | 3.1 | CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809248 | 140440 | 0 | None | -18 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 439 | 13 | 3 | 6 | 3.1 | CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 129211 | 3749 | 78 | None | -3 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 2562 | 3749 | 78 | None | -3 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 488 | 3749 | 78 | None | -3 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL836 | 3749 | 78 | None | -3 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| DB00706 | 3749 | 78 | None | -3 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 10606263 | 141551 | 0 | None | -20 | 2 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(CNCCCCCCNCCSSCCNCCCCCCNCc5ccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL384790 | 141551 | 0 | None | -20 | 2 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(CNCCCCCCNCCSSCCNCCCCCCNCc5ccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 123387804 | 140421 | 0 | None | -10715 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 423 | 12 | 3 | 5 | 3.3 | CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808999 | 140421 | 0 | None | -10715 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 423 | 12 | 3 | 5 | 3.3 | CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123393714 | 140474 | 0 | None | -14 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809543 | 140474 | 0 | None | -14 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C | 10.1021/acs.jmedchem.5b02023 | ||
| 10630100 | 96601 | 0 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccccc4CNCCCCCCNCCSSCCNCCCCCCNCc4ccccc4C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL263289 | 96601 | 0 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccccc4CNCCCCCCNCCSSCCNCCCCCCNCc4ccccc4C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 123322716 | 140523 | 0 | None | -208 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 425 | 12 | 3 | 5 | 2.7 | CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810198 | 140523 | 0 | None | -208 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 425 | 12 | 3 | 5 | 2.7 | CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 4151 | 3607 | 89 | None | -104 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 493 | 3607 | 89 | None | -104 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 5312125 | 3607 | 89 | None | -104 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL24778 | 3607 | 89 | None | -104 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| DB06207 | 3607 | 89 | None | -104 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 10582125 | 81834 | 0 | None | -14 | 2 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL216443 | 81834 | 0 | None | -14 | 2 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 13151 | 981 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | ||
| 9930376 | 981 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609360 | 981 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | ||
| 145947950 | 167733 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4224703 | 167733 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4302771 | 167733 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| 127044893 | 140408 | 0 | None | -416 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 411 | 11 | 3 | 5 | 2.4 | Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808878 | 140408 | 0 | None | -416 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 411 | 11 | 3 | 5 | 2.4 | Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 127044894 | 140367 | 0 | None | -128 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 12 | 3 | 6 | 2.1 | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808408 | 140367 | 0 | None | -128 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 12 | 3 | 6 | 2.1 | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 123183788 | 140526 | 0 | None | -81 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 441 | 12 | 3 | 6 | 2.4 | COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810220 | 140526 | 0 | None | -81 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 441 | 12 | 3 | 6 | 2.4 | COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 4418 | 34222 | 85 | None | -11 | 18 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL142635 | 34222 | 85 | None | -11 | 18 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
| 127045050 | 140393 | 0 | None | -380 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 14 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808632 | 140393 | 0 | None | -380 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 14 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| 145947047 | 167635 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4227513 | 167635 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4301557 | 167635 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 44347716 | 16308 | 0 | None | -4 | 2 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1 | 10.1021/jm000995w | ||
| CHEMBL122621 | 16308 | 0 | None | -4 | 2 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1 | 10.1021/jm000995w | ||
| 123562321 | 140511 | 0 | None | -234 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810110 | 140511 | 0 | None | -234 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123986550 | 140398 | 0 | None | -446 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 14 | 3 | 6 | 4.2 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808717 | 140398 | 0 | None | -446 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 14 | 3 | 6 | 4.2 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123141715 | 140535 | 0 | None | -53 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 459 | 12 | 3 | 6 | 3.4 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810401 | 140535 | 0 | None | -53 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 459 | 12 | 3 | 6 | 3.4 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123311113 | 140521 | 0 | None | -223 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 523 | 14 | 3 | 6 | 3.6 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810187 | 140521 | 0 | None | -223 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 523 | 14 | 3 | 6 | 3.6 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123368349 | 140433 | 0 | None | -301 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 505 | 12 | 3 | 6 | 2.9 | COc1cc(Br)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809175 | 140433 | 0 | None | -301 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 505 | 12 | 3 | 6 | 2.9 | COc1cc(Br)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 156767239 | 182400 | 0 | None | 38 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 463 | 12 | 1 | 5 | 5.1 | COc1ccccc1N1CCN(CCCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL4785526 | 182400 | 0 | None | 38 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 463 | 12 | 1 | 5 | 5.1 | COc1ccccc1N1CCN(CCCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| 127044916 | 140482 | 0 | None | -117 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809676 | 140482 | 0 | None | -117 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 145946630 | 167573 | 0 | None | -16 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4224794 | 167573 | 0 | None | -16 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300618 | 167573 | 0 | None | -16 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 123415538 | 140377 | 0 | None | -363 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 491 | 11 | 3 | 5 | 3.6 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808511 | 140377 | 0 | None | -363 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 491 | 11 | 3 | 5 | 3.6 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| 145946986 | 167605 | 0 | None | -3 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4227241 | 167605 | 0 | None | -3 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300995 | 167605 | 0 | None | -3 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| 14423371 | 97454 | 1 | None | - | 0 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL27013 | 97454 | 1 | None | - | 0 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 14423371 | 97454 | 1 | None | - | 0 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL27013 | 97454 | 1 | None | - | 0 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 16121006 | 11841 | 0 | None | - | 0 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182182 | 11841 | 0 | None | - | 0 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL217469 | 11841 | 0 | None | - | 0 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 129211 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 2562 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 488 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| CHEMBL836 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| DB00706 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 129211 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 2562 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 488 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| CHEMBL836 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| DB00706 | 3749 | 78 | None | - | 14 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 10549596 | 84605 | 1 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153553 | 84605 | 1 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221147 | 84605 | 1 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 3157 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 7170 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 954 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| CHEMBL707 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| DB00590 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 3157 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 7170 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 954 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| CHEMBL707 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| DB00590 | 1470 | 71 | None | 2 | 21 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 10072518 | 35905 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 451 | 11 | 1 | 7 | 4.0 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144224 | 35905 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 451 | 11 | 1 | 7 | 4.0 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10651334 | 29751 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 | 10.1021/jm9810654 | ||
| CHEMBL138681 | 29751 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 | 10.1021/jm9810654 | ||
| 10430193 | 161598 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4129461 | 161598 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 132266 | 1278 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| 486 | 1278 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| CHEMBL423294 | 1278 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| 13305910 | 11836 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182155 | 11836 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215421 | 11836 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3741808 | 11836 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 10745791 | 36509 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 579 | 19 | 3 | 9 | 4.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCN)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144776 | 36509 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 579 | 19 | 3 | 9 | 4.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCN)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 13305910 | 11836 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL1182155 | 11836 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL215421 | 11836 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL3741808 | 11836 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 132266 | 1278 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 486 | 1278 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL423294 | 1278 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 10743978 | 121303 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL358060 | 121303 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 4209 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 4893 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 503 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 5385 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| CHEMBL2 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| DB00457 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 4209 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 4893 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 503 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 5385 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| CHEMBL2 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| DB00457 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 4209 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 4893 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 503 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 5385 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL2 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| DB00457 | 3163 | 75 | None | 1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 11430491 | 63001 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL178673 | 63001 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 10814913 | 35918 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 489 | 12 | 1 | 8 | 4.3 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144238 | 35918 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 489 | 12 | 1 | 8 | 4.3 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 24897950 | 56352 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630940 | 56352 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 11430126 | 60563 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL175934 | 60563 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 491 | 192 | 9 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 9891167 | 192 | 9 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13856 | 192 | 9 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 9891213 | 161502 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128084 | 161502 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 10767688 | 36385 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CCl)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144677 | 36385 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CCl)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 44289261 | 164912 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| CHEMBL42231 | 164912 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| 11169638 | 17194 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1256344 | 17194 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 44277158 | 101645 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 449 | 11 | 3 | 10 | 3.0 | COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL29907 | 101645 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 449 | 11 | 3 | 10 | 3.0 | COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 10527469 | 156265 | 3 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| CHEMBL40650 | 156265 | 3 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| 44586479 | 188627 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL503007 | 188627 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 10553687 | 38881 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL146724 | 38881 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 11994915 | 11832 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182145 | 11832 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214762 | 11832 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 11994667 | 11831 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182143 | 11831 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214694 | 11831 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 44417713 | 12422 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1185884 | 12422 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL439346 | 12422 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 71454865 | 84603 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153551 | 84603 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221145 | 84603 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 44289248 | 168976 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL43905 | 168976 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 10621592 | 84571 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153559 | 84571 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220898 | 84571 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 4418 | 34222 | 85 | None | - | 18 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL142635 | 34222 | 85 | None | - | 18 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10693231 | 202762 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL62033 | 202762 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 52941981 | 17516 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1257883 | 17516 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 10531768 | 35652 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 | 10.1021/jm9810654 | ||
| CHEMBL144000 | 35652 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 | 10.1021/jm9810654 | ||
| 69782867 | 161583 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4129291 | 161583 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 11273296 | 170296 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL444648 | 170296 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 490 | 191 | 8 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 9890547 | 191 | 8 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL268758 | 191 | 8 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 16721032 | 92188 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242507 | 92188 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 10553385 | 119165 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 498 | 13 | 1 | 9 | 3.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL342997 | 119165 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 498 | 13 | 1 | 9 | 3.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10719536 | 121143 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 480 | 12 | 2 | 8 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL357669 | 121143 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 480 | 12 | 2 | 8 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 3584 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 5401 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 7302 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL611 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| DB01162 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 3584 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 5401 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 7302 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| CHEMBL611 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| DB01162 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 3584 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 5401 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 7302 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| CHEMBL611 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| DB01162 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 3584 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 5401 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 7302 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL611 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| DB01162 | 3777 | 64 | None | -6 | 11 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10834793 | 84579 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153557 | 84579 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220925 | 84579 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10767948 | 35949 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144263 | 35949 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 6603808 | 127522 | 3 | None | - | 2 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214986 | 127522 | 3 | None | - | 2 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL36622 | 127522 | 3 | None | - | 2 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3740374 | 127522 | 3 | None | - | 2 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 44417706 | 11835 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182152 | 11835 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL215188 | 11835 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| 44289262 | 101374 | 2 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL297106 | 101374 | 2 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
| 44289437 | 169863 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| CHEMBL44403 | 169863 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| 11281005 | 11843 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1182191 | 11843 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL218079 | 11843 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 145971816 | 164532 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4214992 | 164532 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 2419 | 695 | 28 | None | - | 3 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| 9 | 695 | 28 | None | - | 3 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| CHEMBL13647 | 695 | 28 | None | - | 3 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| 2419 | 695 | 28 | None | - | 3 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| 9 | 695 | 28 | None | - | 3 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL13647 | 695 | 28 | None | - | 3 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| 11742834 | 165770 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| CHEMBL42472 | 165770 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| 44244567 | 14037 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
| CHEMBL1197380 | 14037 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
| CHEMBL3216680 | 14037 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
| 145962817 | 161519 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128311 | 161519 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 11751173 | 63426 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL179743 | 63426 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 10456471 | 100533 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL291303 | 100533 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| 50905588 | 56353 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630941 | 56353 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 11133868 | 155342 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL40325 | 155342 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 10344976 | 101215 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL29591 | 101215 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10344976 | 101215 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL29591 | 101215 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 145978803 | 163838 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 398 | 8 | 1 | 6 | 2.3 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4206435 | 163838 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 398 | 8 | 1 | 6 | 2.3 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 2419 | 695 | 28 | None | - | 3 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| 9 | 695 | 28 | None | - | 3 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| CHEMBL13647 | 695 | 28 | None | - | 3 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| 52942591 | 17612 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258228 | 17612 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 10097792 | 118589 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL341665 | 118589 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 9838192 | 111312 | 18 | None | -9 | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
| CHEMBL326702 | 111312 | 18 | None | -9 | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
| 11994797 | 12314 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL1185017 | 12314 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL383938 | 12314 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| 115 | 343 | 71 | None | - | 5 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 2092 | 343 | 71 | None | - | 5 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 7109 | 343 | 71 | None | - | 5 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| CHEMBL709 | 343 | 71 | None | - | 5 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| DB00346 | 343 | 71 | None | - | 5 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 11454386 | 63107 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL178923 | 63107 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 9838192 | 111312 | 18 | None | -9 | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
| CHEMBL326702 | 111312 | 18 | None | -9 | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
| 10530133 | 37016 | 1 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 525 | 12 | 1 | 10 | 4.2 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL145181 | 37016 | 1 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 525 | 12 | 1 | 10 | 4.2 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 2419 | 695 | 28 | None | - | 3 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 9 | 695 | 28 | None | - | 3 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13647 | 695 | 28 | None | - | 3 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 10363912 | 6538 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL1082862 | 6538 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL286003 | 6538 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| 145975903 | 163821 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4206260 | 163821 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 49800167 | 17681 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258457 | 17681 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 52945071 | 17643 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258344 | 17643 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 10673882 | 38725 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 534 | 13 | 1 | 11 | 3.5 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL146601 | 38725 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 534 | 13 | 1 | 11 | 3.5 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 52942664 | 17644 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258345 | 17644 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 499 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| 5685 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| CHEMBL25554 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| 499 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| 5685 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| CHEMBL25554 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| 499 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| 5685 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| CHEMBL25554 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| 499 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 5685 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| CHEMBL25554 | 4077 | 18 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 145971621 | 164605 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 414 | 9 | 1 | 7 | 2.0 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4215889 | 164605 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 414 | 9 | 1 | 7 | 2.0 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10815228 | 37268 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CCl)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL145384 | 37268 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CCl)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 11133288 | 166033 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL42558 | 166033 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| 10789770 | 100885 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL293695 | 100885 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 11994665 | 11834 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182151 | 11834 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215151 | 11834 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 145964162 | 164336 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4212528 | 164336 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 71462043 | 84568 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153555 | 84568 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220895 | 84568 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10478121 | 170802 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL445325 | 170802 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| 44586430 | 187030 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL490865 | 187030 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 25022505 | 188291 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL500266 | 188291 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 10506915 | 40239 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL148061 | 40239 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10602797 | 36500 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144768 | 36500 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 44586483 | 172467 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL448198 | 172467 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 44586429 | 184297 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL484102 | 184297 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 15254720 | 61301 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL1767136 | 61301 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71452871 | 80468 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146801 | 80468 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71451044 | 80474 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146807 | 80474 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 9827677 | 168422 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43491 | 168422 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44288917 | 100255 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL288768 | 100255 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 71456359 | 80470 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 411 | 7 | 0 | 5 | 3.8 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146803 | 80470 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 411 | 7 | 0 | 5 | 3.8 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 44289103 | 155624 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL40464 | 155624 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 71449250 | 80471 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146804 | 80471 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71461781 | 80469 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 409 | 7 | 0 | 4 | 4.9 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146802 | 80469 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 409 | 7 | 0 | 4 | 4.9 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71452872 | 80434 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146484 | 80434 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 53327992 | 63405 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796050 | 63405 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 71454639 | 80477 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146810 | 80477 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71458203 | 80472 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146805 | 80472 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71456361 | 80479 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 2.5 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146812 | 80479 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 2.5 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 49864841 | 15731 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 266 | 1 | 1 | 4 | 1.6 | C1=C(N2CCNCC2)c2nccn2Cc2ccccc21 | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222552 | 15731 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 266 | 1 | 1 | 4 | 1.6 | C1=C(N2CCNCC2)c2nccn2Cc2ccccc21 | 10.1016/j.bmcl.2010.07.029 | ||
| 53327748 | 63388 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796033 | 63388 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 17747460 | 61329 | 12 | None | - | 2 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL1767164 | 61329 | 12 | None | - | 2 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1016/j.bmc.2012.08.032 | ||
| 71456360 | 80475 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146808 | 80475 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 44289107 | 166180 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 492 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL42640 | 166180 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 492 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 10436842 | 100256 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL288772 | 100256 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 44288945 | 168915 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43860 | 168915 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 71458205 | 80478 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146811 | 80478 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 24804150 | 80480 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 641 | 14 | 0 | 7 | 7.2 | O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146813 | 80480 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 641 | 14 | 0 | 7 | 7.2 | O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1016/j.bmc.2012.08.032 | ||
| 44289035 | 100514 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL291166 | 100514 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 2267 | 559 | 71 | None | - | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| 271 | 559 | 71 | None | - | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| 7121 | 559 | 71 | None | - | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL639 | 559 | 71 | None | - | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| DB00972 | 559 | 71 | None | - | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| 71458204 | 80476 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146809 | 80476 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 44289100 | 100149 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 7 | 1 | 3 | 4.7 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL287791 | 100149 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 7 | 1 | 3 | 4.7 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 53327991 | 63401 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796046 | 63401 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 71461782 | 80473 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146806 | 80473 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 44288874 | 101095 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL295001 | 101095 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44288769 | 101148 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL295395 | 101148 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 1753 | 2504 | 28 | None | -61 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 483 | 2504 | 28 | None | -61 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 6082 | 2504 | 28 | None | -61 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| CHEMBL524 | 2504 | 28 | None | -61 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| DB00723 | 2504 | 28 | None | -61 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 4038180 | 204 | 14 | None | -154 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| 480 | 204 | 14 | None | -154 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| CHEMBL109783 | 204 | 14 | None | -154 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| 2146 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
| 2146 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 9249248 | ||
| 485 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
| 485 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 9249248 | ||
| 6041 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
| 6041 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 9249248 | ||
| CHEMBL1215 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
| CHEMBL1215 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 9249248 | ||
| DB00388 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
| DB00388 | 3100 | 67 | None | -1 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 9249248 | ||
| 124 | 2981 | 47 | None | -44 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 2032 | 2981 | 47 | None | -44 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 4636 | 2981 | 47 | None | -44 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| CHEMBL762 | 2981 | 47 | None | -44 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| DB00935 | 2981 | 47 | None | -44 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 1028 | 291 | 71 | None | -3 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 139148732 | 291 | 71 | None | -3 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 479 | 291 | 71 | None | -3 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 5816 | 291 | 71 | None | -3 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| CHEMBL679 | 291 | 71 | None | -3 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| DB00668 | 291 | 71 | None | -3 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 2765 | 943 | 19 | None | -4 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| 515 | 943 | 19 | None | -4 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| CHEMBL13852 | 943 | 19 | None | -4 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| DB09202 | 943 | 19 | None | -4 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| 1960 | 2857 | 67 | None | -2 | 18 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 439260 | 2857 | 67 | None | -2 | 18 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 505 | 2857 | 67 | None | -2 | 18 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| CHEMBL1437 | 2857 | 67 | None | -2 | 18 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| DB00368 | 2857 | 67 | None | -2 | 18 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 2146 | 3100 | 67 | None | -1 | 14 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 485 | 3100 | 67 | None | -1 | 14 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 6041 | 3100 | 67 | None | -1 | 14 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| CHEMBL1215 | 3100 | 67 | None | -1 | 14 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| DB00388 | 3100 | 67 | None | -1 | 14 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 507 | 3328 | 0 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 15680270 | ||||
| 13442 | 2684 | 0 | None | -1 | 4 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | 392 | 6 | 0 | 7 | 3.6 | C12=CC=CC=C1SN=C2N3CCN(CCCCN4N=NC5=C4C=CC=C5)CC3 | 38968440 | ||
| 76283388 | 2684 | 0 | None | -1 | 4 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | 392 | 6 | 0 | 7 | 3.6 | C12=CC=CC=C1SN=C2N3CCN(CCCCN4N=NC5=C4C=CC=C5)CC3 | 38968440 | ||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | |||
| 118727910 | 120682 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 427 | 8 | 0 | 3 | 4.1 | O=C1CCCN1CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3400594 | 120682 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 427 | 8 | 0 | 3 | 4.1 | O=C1CCCN1CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3547015 | 120682 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 427 | 8 | 0 | 3 | 4.1 | O=C1CCCN1CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| 11301627 | 9398 | 0 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111537 | 9398 | 0 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9813756 | 9016 | 0 | None | - | 3 | Rat | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109848 | 9016 | 0 | None | - | 3 | Rat | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 118727912 | 120692 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 317 | 6 | 1 | 4 | 1.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2O)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3400595 | 120692 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 317 | 6 | 1 | 4 | 1.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2O)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3547116 | 120692 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 317 | 6 | 1 | 4 | 1.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2O)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| 118727916 | 120694 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 2.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3400597 | 120694 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 2.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3547118 | 120694 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 2.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| 9944409 | 7613 | 0 | None | - | 4 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL108804 | 7613 | 0 | None | - | 4 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 118727918 | 120695 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 391 | 8 | 0 | 3 | 3.8 | O=C1CCCN1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3400598 | 120695 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 391 | 8 | 0 | 3 | 3.8 | O=C1CCCN1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3547119 | 120695 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 391 | 8 | 0 | 3 | 3.8 | O=C1CCCN1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| 118727908 | 120681 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 315 | 6 | 0 | 3 | 2.5 | Cc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3400593 | 120681 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 315 | 6 | 0 | 3 | 2.5 | Cc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3547014 | 120681 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 315 | 6 | 0 | 3 | 2.5 | Cc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| 4038180 | 204 | 14 | None | - | 7 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 480 | 204 | 14 | None | - | 7 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109783 | 204 | 14 | None | - | 7 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 4038180 | 204 | 14 | None | - | 7 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| 480 | 204 | 14 | None | - | 7 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| CHEMBL109783 | 204 | 14 | None | - | 7 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| 76326541 | 85341 | 0 | None | -295 | 3 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261355 | 85341 | 0 | None | -295 | 3 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 118727914 | 120693 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 2.5 | O=C1CCCN1CCCCN1CCN(c2ccc(F)cc2F)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3400596 | 120693 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 2.5 | O=C1CCCN1CCCCN1CCN(c2ccc(F)cc2F)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL3547117 | 120693 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 2.5 | O=C1CCCN1CCCCN1CCN(c2ccc(F)cc2F)CC1 | 10.1016/j.bmc.2015.03.009 | |||
| 2146 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | |||
| 485 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | |||
| 6041 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | |||
| CHEMBL1215 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | |||
| DB00388 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | |||
| 9904117 | 9402 | 3 | None | - | 4 | Rat | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111554 | 9402 | 3 | None | - | 4 | Rat | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9838192 | 111312 | 18 | None | -23 | 5 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL326702 | 111312 | 18 | None | -23 | 5 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| 43260 | 5482 | 65 | None | - | 4 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | |||
| CHEMBL1076 | 5482 | 65 | None | - | 4 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | |||
| 43260 | 5482 | 65 | None | - | 4 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL1076 | 5482 | 65 | None | - | 4 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | |||
| 11183468 | 109872 | 2 | None | - | 5 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL323402 | 109872 | 2 | None | - | 5 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 3157 | 1470 | 71 | None | 1 | 10 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 7170 | 1470 | 71 | None | 1 | 10 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 954 | 1470 | 71 | None | 1 | 10 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| CHEMBL707 | 1470 | 71 | None | 1 | 10 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| DB00590 | 1470 | 71 | None | 1 | 10 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| 8459 | 3298 | 4 | None | 7 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | |||
| 9891980 | 3298 | 4 | None | 7 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | |||
| CHEMBL430717 | 3298 | 4 | None | 7 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | |||
| 122179430 | 121441 | 0 | None | 3 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| CHEMBL3582270 | 121441 | 0 | None | 3 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| 2389 | 3331 | 118 | None | -8 | 67 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 5073 | 3331 | 118 | None | -8 | 67 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 96 | 3331 | 118 | None | -8 | 67 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| CHEMBL85 | 3331 | 118 | None | -8 | 67 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| DB00734 | 3331 | 118 | None | -8 | 67 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 85469932 | 136786 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741318 | 136786 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 10227730 | 28377 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 481 | 9 | 5 | 4 | 4.8 | N=C(N)c1ccc(CNC(=O)Cc2c(-c3cccc(N)c3)ccc(NCc3ccccc3)c2F)cc1 | 10.1021/jm030233b | |||
| CHEMBL137487 | 28377 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 481 | 9 | 5 | 4 | 4.8 | N=C(N)c1ccc(CNC(=O)Cc2c(-c3cccc(N)c3)ccc(NCc3ccccc3)c2F)cc1 | 10.1021/jm030233b | |||
| 71268957 | 83676 | 72 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 541 | 8 | 2 | 7 | 4.3 | CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C | 10.6019/CHEMBL5212743 | |||
| CHEMBL2204995 | 83676 | 72 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 541 | 8 | 2 | 7 | 4.3 | CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C | 10.6019/CHEMBL5212743 | |||
| 85469753 | 136761 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 503 | 6 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741079 | 136761 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 503 | 6 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 85469808 | 136630 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739900 | 136630 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 44596863 | 198927 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 367 | 6 | 1 | 6 | 2.3 | C=Cc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N | 10.1021/jm900458r | |||
| CHEMBL584606 | 198927 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 367 | 6 | 1 | 6 | 2.3 | C=Cc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N | 10.1021/jm900458r | |||
| 9903313 | 172678 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL450018 | 172678 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 19972363 | 94406 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 539 | 9 | 1 | 6 | 5.5 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC(C)C)CC3)cccc2c1=O | 10.1021/jm960697s | |||
| CHEMBL25098 | 94406 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 539 | 9 | 1 | 6 | 5.5 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC(C)C)CC3)cccc2c1=O | 10.1021/jm960697s | |||
| 191 | 403 | 98 | None | -15 | 29 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 201 | 403 | 98 | None | -15 | 29 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 2170 | 403 | 98 | None | -15 | 29 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| CHEMBL1113 | 403 | 98 | None | -15 | 29 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| DB00543 | 403 | 98 | None | -15 | 29 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 12488 | 1657 | 56 | None | -10 | 23 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 941361 | 1657 | 56 | None | -10 | 23 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| CHEMBL30008 | 1657 | 56 | None | -10 | 23 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| DB04841 | 1657 | 56 | None | -10 | 23 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 213 | 3853 | 55 | None | -1 | 44 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 2717 | 3853 | 55 | None | -1 | 44 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 5533 | 3853 | 55 | None | -1 | 44 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| CHEMBL621 | 3853 | 55 | None | -1 | 44 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| DB00656 | 3853 | 55 | None | -1 | 44 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 102 | 4127 | 48 | None | -158 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 3659 | 4127 | 48 | None | -158 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 8969 | 4127 | 48 | None | -158 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| CHEMBL15245 | 4127 | 48 | None | -158 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| DB01392 | 4127 | 48 | None | -158 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 135 | 2532 | 43 | None | -11 | 58 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 2532 | 43 | None | -11 | 58 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 2532 | 43 | None | -11 | 58 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 2532 | 43 | None | -11 | 58 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 2532 | 43 | None | -11 | 58 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 85469869 | 136591 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 426 | 6 | 0 | 5 | 3.2 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739533 | 136591 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 426 | 6 | 0 | 5 | 3.2 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 127046693 | 139667 | 0 | None | - | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | |||
| CHEMBL3797887 | 139667 | 0 | None | - | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | |||
| CHEMBL4762646 | 139667 | 0 | None | - | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | |||
| 1588 | 2325 | 27 | None | -63 | 44 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 28864 | 2325 | 27 | None | -63 | 44 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 43 | 2325 | 27 | None | -63 | 44 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| CHEMBL157138 | 2325 | 27 | None | -63 | 44 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| DB00589 | 2325 | 27 | None | -63 | 44 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 85469809 | 136701 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 7 | 0 | 5 | 4.1 | CC(=O)c1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740558 | 136701 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 7 | 0 | 5 | 4.1 | CC(=O)c1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 124 | 2981 | 47 | None | -218 | 33 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2032 | 2981 | 47 | None | -218 | 33 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 4636 | 2981 | 47 | None | -218 | 33 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| CHEMBL762 | 2981 | 47 | None | -218 | 33 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| DB00935 | 2981 | 47 | None | -218 | 33 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 44362185 | 121029 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL356605 | 121029 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| 22493280 | 48275 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL155327 | 48275 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| 2398 | 954 | 62 | None | -2 | 29 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 954 | 62 | None | -2 | 29 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 954 | 62 | None | -2 | 29 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 954 | 62 | None | -2 | 29 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 954 | 62 | None | -2 | 29 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 3952 | 1888 | 38 | None | -11 | 12 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5353646 | 1888 | 38 | None | -11 | 12 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5443 | 1888 | 38 | None | -11 | 12 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5702063 | 1888 | 38 | None | -11 | 12 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL1331786 | 1888 | 38 | None | -11 | 12 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL420 | 1888 | 38 | None | -11 | 12 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 9934955 | 72276 | 0 | None | -2 | 5 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19826 | 72276 | 0 | None | -2 | 5 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 134551 | 358 | 27 | None | -6 | 21 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 271 | 358 | 27 | None | -6 | 21 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 885 | 358 | 27 | None | -6 | 21 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| CHEMBL1403281 | 358 | 27 | None | -6 | 21 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 9885114 | 119604 | 5 | None | -186 | 12 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | |||
| CHEMBL346389 | 119604 | 5 | None | -186 | 12 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | |||
| 441383 | 20333 | 57 | None | -9 | 16 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL1306 | 20333 | 57 | None | -9 | 16 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 42636941 | 178949 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | |||
| CHEMBL470432 | 178949 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | |||
| 135398744 | 68662 | 86 | None | -1 | 3 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 474 | 7 | 1 | 8 | 1.6 | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | nan | |||
| CHEMBL192 | 68662 | 86 | None | -1 | 3 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 474 | 7 | 1 | 8 | 1.6 | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | nan | |||
| 9934955 | 72276 | 0 | None | -2 | 5 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19826 | 72276 | 0 | None | -2 | 5 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 10739024 | 69833 | 0 | None | -60 | 5 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19376 | 69833 | 0 | None | -60 | 5 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 1210 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 1213 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2725 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 33036 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4411 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 616 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 6976 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 716121 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1201353 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1554789 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL505 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB01114 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB13679 | 918 | 51 | None | -436 | 21 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 11015356 | 25189 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 9 | 4 | 3 | 3.8 | N=C(N)c1ccc(CNC(=O)Cc2c(F)ccc(NCCc3ccccc3)c2F)cc1 | 10.1021/jm030233b | |||
| CHEMBL134792 | 25189 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 9 | 4 | 3 | 3.8 | N=C(N)c1ccc(CNC(=O)Cc2c(F)ccc(NCCc3ccccc3)c2F)cc1 | 10.1021/jm030233b | |||
| 3151 | 1462 | 97 | None | -31 | 27 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 945 | 1462 | 97 | None | -31 | 27 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 965 | 1462 | 97 | None | -31 | 27 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| CHEMBL219916 | 1462 | 97 | None | -31 | 27 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| DB01184 | 1462 | 97 | None | -31 | 27 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 22493258 | 98664 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | |||
| CHEMBL277375 | 98664 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | |||
| 240 | 944 | 43 | None | -1 | 24 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 2769 | 944 | 43 | None | -1 | 24 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 44279790 | 944 | 43 | None | -1 | 24 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 660 | 944 | 43 | None | -1 | 24 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL1729 | 944 | 43 | None | -1 | 24 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL560739 | 944 | 43 | None | -1 | 24 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| DB00604 | 944 | 43 | None | -1 | 24 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 56961507 | 121442 | 0 | None | -1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | |||
| CHEMBL3582271 | 121442 | 0 | None | -1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | |||
| 10399043 | 120162 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL351542 | 120162 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | |||
| 4011 | 82408 | 49 | None | -13 | 24 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 82408 | 49 | None | -13 | 24 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 2520 | 204008 | 70 | None | -13 | 12 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| CHEMBL1280 | 204008 | 70 | None | -13 | 12 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| CHEMBL6966 | 204008 | 70 | None | -13 | 12 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| 9795167 | 107494 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL318544 | 107494 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| 2247 | 505 | 81 | None | -15 | 42 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 505 | 81 | None | -15 | 42 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 505 | 81 | None | -15 | 42 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 505 | 81 | None | -15 | 42 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 505 | 81 | None | -15 | 42 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 1028 | 291 | 71 | None | -56 | 30 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 139148732 | 291 | 71 | None | -56 | 30 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 479 | 291 | 71 | None | -56 | 30 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 5816 | 291 | 71 | None | -56 | 30 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| CHEMBL679 | 291 | 71 | None | -56 | 30 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| DB00668 | 291 | 71 | None | -56 | 30 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 44329797 | 108106 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL319553 | 108106 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 3168 | 9262 | 92 | None | -13 | 21 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| CHEMBL1108 | 9262 | 92 | None | -13 | 21 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 127041710 | 136616 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.4 | [C-]#[N+]c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739762 | 136616 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.4 | [C-]#[N+]c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 25014630 | 83539 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | |||
| CHEMBL2203713 | 83539 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | |||
| 2803 | 955 | 58 | None | -7 | 19 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 516 | 955 | 58 | None | -7 | 19 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 704 | 955 | 58 | None | -7 | 19 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| CHEMBL134 | 955 | 58 | None | -7 | 19 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| DB00575 | 955 | 58 | None | -7 | 19 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 85469871 | 136584 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739505 | 136584 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 85469931 | 136892 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3742253 | 136892 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 10219 | 188796 | 37 | None | -14 | 5 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| CHEMBL493439 | 188796 | 37 | None | -14 | 5 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| CHEMBL50588 | 188796 | 37 | None | -14 | 5 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| 10378649 | 108593 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL320419 | 108593 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 85469754 | 136895 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 3.3 | CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3742276 | 136895 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 3.3 | CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 107715 | 200945 | 22 | None | -7 | 19 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL1255837 | 200945 | 22 | None | -7 | 19 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL601773 | 200945 | 22 | None | -7 | 19 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| 6761 | 67799 | 19 | None | -1 | 18 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| CHEMBL1909072 | 67799 | 19 | None | -1 | 18 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 10015132 | 163869 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL420683 | 163869 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | |||
| 19063108 | 93484 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 546 | 9 | 1 | 10 | 4.6 | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC | 10.1021/jm960697s | |||
| CHEMBL24619 | 93484 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 546 | 9 | 1 | 10 | 4.6 | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC | 10.1021/jm960697s | |||
| 1971 | 2866 | 38 | None | -5 | 30 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 2866 | 38 | None | -5 | 30 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 2866 | 38 | None | -5 | 30 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 2866 | 38 | None | -5 | 30 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 2866 | 38 | None | -5 | 30 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 11108001 | 10872 | 2 | None | -5 | 6 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL117248 | 10872 | 2 | None | -5 | 6 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL540542 | 10872 | 2 | None | -5 | 6 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| 22493289 | 49688 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL156661 | 49688 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | |||
| 10199052 | 207954 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL97044 | 207954 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 9794803 | 11006 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL117381 | 11006 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| 3823 | 50221 | 42 | None | -51 | 10 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 76973198 | 50221 | 42 | None | -51 | 10 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL157101 | 50221 | 42 | None | -51 | 10 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 44269124 | 28818 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL13789 | 28818 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | |||
| 148842 | 3946 | 27 | None | - | 5 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| 496 | 3946 | 27 | None | - | 5 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| CHEMBL278865 | 3946 | 27 | None | - | 5 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| 19972428 | 98096 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 496 | 8 | 0 | 6 | 5.6 | COc1ccccc1N1CCN(CCCC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | |||
| CHEMBL27341 | 98096 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 496 | 8 | 0 | 6 | 5.6 | COc1ccccc1N1CCN(CCCC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | |||
| 2337 | 3256 | 77 | None | -1 | 62 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 50 | 3256 | 77 | None | -1 | 62 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 5002 | 3256 | 77 | None | -1 | 62 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| CHEMBL716 | 3256 | 77 | None | -1 | 62 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| DB01224 | 3256 | 77 | None | -1 | 62 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 44362511 | 119348 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1ccnc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL344294 | 119348 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1ccnc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| 6726 | 1280 | 51 | None | -16 | 13 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 7151 | 1280 | 51 | None | -16 | 13 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 749 | 1280 | 51 | None | -16 | 13 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL648 | 1280 | 51 | None | -16 | 13 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB01176 | 1280 | 51 | None | -16 | 13 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 11292933 | 56394 | 45 | None | - | 9 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 415 | 5 | 1 | 4 | 3.4 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | |||
| CHEMBL1631540 | 56394 | 45 | None | - | 9 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 415 | 5 | 1 | 4 | 3.4 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | |||
| 85469873 | 136592 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739542 | 136592 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 2291 | 3184 | 58 | None | -16 | 12 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 2561 | 3184 | 58 | None | -16 | 12 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 4932 | 3184 | 58 | None | -16 | 12 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| CHEMBL631 | 3184 | 58 | None | -16 | 12 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| DB01182 | 3184 | 58 | None | -16 | 12 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 9934955 | 72276 | 0 | None | 2 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19826 | 72276 | 0 | None | 2 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 133 | 2496 | 52 | None | -58 | 42 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 1723 | 2496 | 52 | None | -58 | 42 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 28693 | 2496 | 52 | None | -58 | 42 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| CHEMBL19215 | 2496 | 52 | None | -58 | 42 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| DB13520 | 2496 | 52 | None | -58 | 42 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 2105 | 3054 | 37 | None | -147 | 33 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 47811 | 3054 | 37 | None | -147 | 33 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 48 | 3054 | 37 | None | -147 | 33 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| CHEMBL531 | 3054 | 37 | None | -147 | 33 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| DB01186 | 3054 | 37 | None | -147 | 33 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 44362195 | 121089 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL357129 | 121089 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| 11027118 | 28365 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 472 | 9 | 4 | 4 | 3.1 | N=C(N)c1ccc(CNC(=O)Cc2c(F)ccc(NS(=O)(=O)Cc3ccccc3)c2F)cc1 | 10.1021/jm030233b | |||
| CHEMBL137483 | 28365 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 472 | 9 | 4 | 4 | 3.1 | N=C(N)c1ccc(CNC(=O)Cc2c(F)ccc(NS(=O)(=O)Cc3ccccc3)c2F)cc1 | 10.1021/jm030233b | |||
| 2351 | 3286 | 64 | None | -14 | 21 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 2820 | 3286 | 64 | None | -14 | 21 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 5035 | 3286 | 64 | None | -14 | 21 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| CHEMBL81 | 3286 | 64 | None | -14 | 21 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| DB00481 | 3286 | 64 | None | -14 | 21 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 10739024 | 69833 | 0 | None | -60 | 5 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19376 | 69833 | 0 | None | -60 | 5 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 85469933 | 136648 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740019 | 136648 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 44275384 | 98810 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 7 | 1 | 5 | 5.7 | Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | |||
| CHEMBL278518 | 98810 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 7 | 1 | 5 | 5.7 | Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | |||
| 9934955 | 72276 | 0 | None | 2 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19826 | 72276 | 0 | None | 2 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 31101 | 729 | 40 | None | -5 | 36 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 35 | 729 | 40 | None | -5 | 36 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 403 | 729 | 40 | None | -5 | 36 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| CHEMBL493 | 729 | 40 | None | -5 | 36 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| DB01200 | 729 | 40 | None | -5 | 36 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 2585 | 803 | 103 | None | -6 | 21 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 803 | 103 | None | -6 | 21 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 803 | 103 | None | -6 | 21 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 803 | 103 | None | -6 | 21 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 803 | 103 | None | -6 | 21 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 44343247 | 110635 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL325745 | 110635 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | |||
| 10739024 | 69833 | 0 | None | 10 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19376 | 69833 | 0 | None | 10 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 85469930 | 136874 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 4.8 | Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3742103 | 136874 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 4.8 | Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 22493269 | 46826 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL154023 | 46826 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | |||
| 2771 | 195017 | 74 | None | -1 | 27 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| CHEMBL1200781 | 195017 | 74 | None | -1 | 27 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| CHEMBL549 | 195017 | 74 | None | -1 | 27 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| 2600 | 3779 | 74 | None | -8 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 2608 | 3779 | 74 | None | -8 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 5405 | 3779 | 74 | None | -8 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| CHEMBL17157 | 3779 | 74 | None | -8 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| DB00342 | 3779 | 74 | None | -8 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 36811 | 1454 | 37 | None | -1 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 535 | 1454 | 37 | None | -1 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 937 | 1454 | 37 | None | -1 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| CHEMBL926 | 1454 | 37 | None | -1 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| DB00841 | 1454 | 37 | None | -1 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 1212 | 1662 | 50 | None | -24 | 65 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 1662 | 50 | None | -24 | 65 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 1662 | 50 | None | -24 | 65 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 1662 | 50 | None | -24 | 65 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 1662 | 50 | None | -24 | 65 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 85469757 | 136739 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 3.9 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740874 | 136739 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 3.9 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 | 10.1016/j.bmc.2015.11.020 | |||
| 237 | 204865 | 48 | None | -2 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL546257 | 204865 | 48 | None | -2 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL554190 | 204865 | 48 | None | -2 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 204865 | 48 | None | -2 | 13 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 11057 | 176149 | 23 | None | -3 | 20 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 3468 | 176149 | 23 | None | -3 | 20 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL459265 | 176149 | 23 | None | -3 | 20 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL64894 | 176149 | 23 | None | -3 | 20 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 78243717 | 137350 | 53 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 321 | 4 | 1 | 5 | 2.4 | O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O | 10.6019/CHEMBL5212743 | |||
| CHEMBL3752911 | 137350 | 53 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 321 | 4 | 1 | 5 | 2.4 | O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O | 10.6019/CHEMBL5212743 | |||
| 124087 | 1389 | 114 | None | -39 | 15 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 7157 | 1389 | 114 | None | -39 | 15 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 814 | 1389 | 114 | None | -39 | 15 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| CHEMBL1172 | 1389 | 114 | None | -39 | 15 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| DB00967 | 1389 | 114 | None | -39 | 15 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 135398745 | 2914 | 112 | None | -11 | 65 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 47 | 2914 | 112 | None | -11 | 65 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| CHEMBL715 | 2914 | 112 | None | -11 | 65 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| DB00334 | 2914 | 112 | None | -11 | 65 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 19972481 | 93509 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 9 | 0 | 6 | 5.8 | COc1ccccc1N1CCN(CCCCOc2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | |||
| CHEMBL24629 | 93509 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 9 | 0 | 6 | 5.8 | COc1ccccc1N1CCN(CCCCOc2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | |||
| 2286 | 3183 | 51 | None | -4 | 30 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 3183 | 51 | None | -4 | 30 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 3183 | 51 | None | -4 | 30 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 3183 | 51 | None | -4 | 30 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 3183 | 51 | None | -4 | 30 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 9837963 | 62971 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | |||
| CHEMBL17851 | 62971 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | |||
| 100 | 3805 | 58 | None | -2 | 55 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 3805 | 58 | None | -2 | 55 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 3805 | 58 | None | -2 | 55 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 3805 | 58 | None | -2 | 55 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 3805 | 58 | None | -2 | 55 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 85469756 | 136587 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739513 | 136587 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 3191 | 102858 | 97 | None | -7 | 25 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 102858 | 97 | None | -7 | 25 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 85469812 | 136686 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740351 | 136686 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 22493352 | 48274 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL155326 | 48274 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| 1548953 | 207679 | 27 | None | -11 | 17 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| CHEMBL954 | 207679 | 27 | None | -11 | 17 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| 196129 | 67798 | 17 | None | -3311 | 15 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| CHEMBL1909065 | 67798 | 17 | None | -3311 | 15 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| 3055 | 1433 | 44 | None | -1 | 9 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 313 | 1433 | 44 | None | -1 | 9 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 7163 | 1433 | 44 | None | -1 | 9 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| CHEMBL936 | 1433 | 44 | None | -1 | 9 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| DB01231 | 1433 | 44 | None | -1 | 9 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 73453 | 29616 | 24 | None | -4 | 17 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| CHEMBL1385840 | 29616 | 24 | None | -4 | 17 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| 53246941 | 69422 | 42 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 3.9 | C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 | 10.6019/CHEMBL5212743 | |||
| CHEMBL1933288 | 69422 | 42 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 3.9 | C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 | 10.6019/CHEMBL5212743 | |||
| 122179431 | 121443 | 0 | None | -1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| CHEMBL3582272 | 121443 | 0 | None | -1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| 3033538 | 1319 | 39 | None | -2 | 9 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 7155 | 1319 | 39 | None | -2 | 9 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 781 | 1319 | 39 | None | -2 | 9 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| CHEMBL1201216 | 1319 | 39 | None | -2 | 9 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| DB00298 | 1319 | 39 | None | -2 | 9 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 506 | 2252 | 39 | None | -1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 6603904 | 2252 | 39 | None | -1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| CHEMBL19476 | 2252 | 39 | None | -1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 1531 | 2266 | 69 | None | -6 | 16 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 3869 | 2266 | 69 | None | -6 | 16 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 7207 | 2266 | 69 | None | -6 | 16 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| CHEMBL429 | 2266 | 69 | None | -6 | 16 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| DB00598 | 2266 | 69 | None | -6 | 16 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 22493392 | 47155 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL154298 | 47155 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | |||
| 9816986 | 164139 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL421011 | 164139 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 44343257 | 10500 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL116700 | 10500 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 11638677 | 84589 | 0 | None | -38 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | |||
| CHEMBL2153423 | 84589 | 0 | None | -38 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | |||
| CHEMBL2220978 | 84589 | 0 | None | -38 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 958 | 93 | None | -3 | 89 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 958 | 93 | None | -3 | 89 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 3158 | 56267 | 27 | None | -229 | 20 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 56267 | 27 | None | -229 | 20 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| 68617 | 205527 | 62 | None | -6 | 26 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL1709 | 205527 | 62 | None | -6 | 26 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL809 | 205527 | 62 | None | -6 | 26 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| 6075 | 150108 | 42 | None | -3 | 16 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| CHEMBL395110 | 150108 | 42 | None | -3 | 16 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| 4418 | 34222 | 85 | None | -3 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL142635 | 34222 | 85 | None | -3 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 10994432 | 29096 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 478 | 10 | 5 | 4 | 4.9 | N=C(N)c1ccc(CNC(=O)Cc2c(-c3ccccc3)ccc(NCCc3ccccc3)c2O)cc1 | 10.1021/jm030233b | |||
| CHEMBL138119 | 29096 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 478 | 10 | 5 | 4 | 4.9 | N=C(N)c1ccc(CNC(=O)Cc2c(-c3ccccc3)ccc(NCCc3ccccc3)c2O)cc1 | 10.1021/jm030233b | |||
| 85469934 | 136735 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740847 | 136735 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 10198532 | 207696 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL95523 | 207696 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 11059896 | 119190 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 480 | 10 | 4 | 3 | 5.3 | N=C(N)c1ccc(CNC(=O)Cc2c(-c3ccccc3)ccc(NCCc3ccccc3)c2F)cc1 | 10.1021/jm030233b | |||
| CHEMBL343173 | 119190 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 480 | 10 | 4 | 3 | 5.3 | N=C(N)c1ccc(CNC(=O)Cc2c(-c3ccccc3)ccc(NCCc3ccccc3)c2F)cc1 | 10.1021/jm030233b | |||
| 1201549 | 597 | 24 | None | -15 | 20 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 333 | 597 | 24 | None | -15 | 20 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 7601 | 597 | 24 | None | -15 | 20 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL1201203 | 597 | 24 | None | -15 | 20 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL438151 | 597 | 24 | None | -15 | 20 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| DB00245 | 597 | 24 | None | -15 | 20 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 26987 | 949 | 33 | None | -63 | 21 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 949 | 33 | None | -63 | 21 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 949 | 33 | None | -63 | 21 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 949 | 33 | None | -63 | 21 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 949 | 33 | None | -63 | 21 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 44269124 | 28818 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL13789 | 28818 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | |||
| 180 | 401 | 56 | None | -33 | 40 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 401 | 56 | None | -33 | 40 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 401 | 56 | None | -33 | 40 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 401 | 56 | None | -33 | 40 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 401 | 56 | None | -33 | 40 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 85469868 | 136780 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 6 | 0 | 5 | 3.7 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741260 | 136780 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 6 | 0 | 5 | 3.7 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 10060965 | 35234 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL143562 | 35234 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | |||
| 85469811 | 136884 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3742198 | 136884 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 85469755 | 136769 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 461 | 6 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741161 | 136769 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 461 | 6 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 19972519 | 94248 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 497 | 7 | 1 | 6 | 4.3 | COc1ccccc1N1CCN(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | |||
| CHEMBL25012 | 94248 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 497 | 7 | 1 | 6 | 4.3 | COc1ccccc1N1CCN(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | |||
| 11102065 | 114795 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 9 | 4 | 4 | 4.3 | COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(C(=N)N)cc1 | 10.1021/jm030233b | |||
| CHEMBL333980 | 114795 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 9 | 4 | 4 | 4.3 | COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(C(=N)N)cc1 | 10.1021/jm030233b | |||
| 85469872 | 136805 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741483 | 136805 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 10531 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 121 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 888 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL1732 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00320 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 2284 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 1043 | 1582 | 14 | None | -50 | 28 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 149 | 1582 | 14 | None | -50 | 28 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 8223 | 1582 | 14 | None | -50 | 28 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL442 | 1582 | 14 | None | -50 | 28 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00696 | 1582 | 14 | None | -50 | 28 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 506 | 2252 | 39 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 6603904 | 2252 | 39 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| CHEMBL19476 | 2252 | 39 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 1353 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 2726 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 277 | 1301 | 62 | None | -21 | 50 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 1301 | 62 | None | -21 | 50 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 1301 | 62 | None | -21 | 50 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 1301 | 62 | None | -21 | 50 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 1301 | 62 | None | -21 | 50 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2142 | 3096 | 58 | None | -18 | 36 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 4920903 | 3096 | 58 | None | -18 | 36 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 502 | 3096 | 58 | None | -18 | 36 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 5775 | 3096 | 58 | None | -18 | 36 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| CHEMBL597 | 3096 | 58 | None | -18 | 36 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| DB00692 | 3096 | 58 | None | -18 | 36 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 85469698 | 136826 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741658 | 136826 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 2274 | 3173 | 58 | None | -9 | 31 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 4917 | 3173 | 58 | None | -9 | 31 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 7279 | 3173 | 58 | None | -9 | 31 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL728 | 3173 | 58 | None | -9 | 31 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| DB00433 | 3173 | 58 | None | -9 | 31 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 44343410 | 11555 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL118055 | 11555 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | |||
| 506 | 2252 | 39 | None | 1 | 5 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 6603904 | 2252 | 39 | None | 1 | 5 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| CHEMBL19476 | 2252 | 39 | None | 1 | 5 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 506 | 2252 | 39 | None | 1 | 5 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 6603904 | 2252 | 39 | None | 1 | 5 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| CHEMBL19476 | 2252 | 39 | None | 1 | 5 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 1547484 | 940 | 74 | None | -9 | 20 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 654 | 940 | 74 | None | -9 | 20 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9072 | 940 | 74 | None | -9 | 20 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL43064 | 940 | 74 | None | -9 | 20 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB00568 | 940 | 74 | None | -9 | 20 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 85469870 | 136650 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740042 | 136650 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 9845742 | 17487 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 433 | 8 | 5 | 4 | 4.0 | CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(C(=N)N)cc2)c1F | 10.1021/jm030233b | |||
| CHEMBL125781 | 17487 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 433 | 8 | 5 | 4 | 4.0 | CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(C(=N)N)cc2)c1F | 10.1021/jm030233b | |||
| 11730709 | 28305 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 492 | 11 | 4 | 4 | 5.2 | COc1c(NCCc2ccccc2)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(C(=N)N)cc1 | 10.1021/jm030233b | |||
| CHEMBL137444 | 28305 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 492 | 11 | 4 | 4 | 5.2 | COc1c(NCCc2ccccc2)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(C(=N)N)cc1 | 10.1021/jm030233b | |||
| 1599 | 2341 | 50 | None | -70 | 16 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 3955 | 2341 | 50 | None | -70 | 16 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 7215 | 2341 | 50 | None | -70 | 16 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL841 | 2341 | 50 | None | -70 | 16 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| DB00836 | 2341 | 50 | None | -70 | 16 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 4735 | 195115 | 96 | None | -9 | 10 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| CHEMBL361506 | 195115 | 96 | None | -9 | 10 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| CHEMBL55 | 195115 | 96 | None | -9 | 10 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| 139592915 | 3374 | 35 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| 1465 | 3374 | 35 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| 2410 | 3374 | 35 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| 6915744 | 3374 | 35 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| CHEMBL1214185 | 3374 | 35 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| DB00778 | 3374 | 35 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| 71817549 | 102580 | 0 | None | 4 | 6 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3040803 | 102580 | 0 | None | 4 | 6 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3216590 | 102580 | 0 | None | 4 | 6 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| 73438500 | 118528 | 0 | None | -4 | 2 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415011 | 118528 | 0 | None | -4 | 2 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 76326541 | 85341 | 0 | None | -295 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261355 | 85341 | 0 | None | -295 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 118733023 | 118537 | 0 | None | -19 | 2 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415020 | 118537 | 0 | None | -19 | 2 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 73437676 | 118496 | 0 | None | -18 | 2 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 422 | 8 | 2 | 5 | 3.1 | COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3414578 | 118496 | 0 | None | -18 | 2 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 422 | 8 | 2 | 5 | 3.1 | COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1 | 10.1016/j.ejmech.2015.04.005 | |||
| 9903797 | 9439 | 5 | None | -117 | 3 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | |||
| CHEMBL111734 | 9439 | 5 | None | -117 | 3 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | |||
| 73437675 | 118532 | 0 | None | -2 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 408 | 7 | 3 | 5 | 2.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415015 | 118532 | 0 | None | -2 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 408 | 7 | 3 | 5 | 2.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 71817545 | 92124 | 0 | None | -2 | 6 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419765 | 92124 | 0 | None | -2 | 6 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 73437677 | 118536 | 0 | None | -3 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 406 | 7 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415019 | 118536 | 0 | None | -3 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 406 | 7 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 4418 | 34222 | 85 | None | -53 | 6 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL142635 | 34222 | 85 | None | -53 | 6 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 71817386 | 102586 | 0 | None | -4 | 6 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419769 | 102586 | 0 | None | -4 | 6 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL3040851 | 102586 | 0 | None | -4 | 6 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| 73437678 | 118534 | 0 | None | -3 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 3.9 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415017 | 118534 | 0 | None | -3 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 3.9 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 73437673 | 118530 | 0 | None | -1 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 420 | 9 | 2 | 4 | 3.4 | COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415013 | 118530 | 0 | None | -1 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 420 | 9 | 2 | 4 | 3.4 | COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 73437729 | 118535 | 0 | None | -5 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415018 | 118535 | 0 | None | -5 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 2419 | 695 | 28 | None | -74 | 12 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | |||
| 9 | 695 | 28 | None | -74 | 12 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | |||
| CHEMBL13647 | 695 | 28 | None | -74 | 12 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | |||
| 71817547 | 102578 | 0 | None | -1 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL2419771 | 102578 | 0 | None | -1 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL3040800 | 102578 | 0 | None | -1 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| 155567902 | 175994 | 0 | None | 6 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL4589115 | 175994 | 0 | None | 6 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | |||
| 9838192 | 111312 | 18 | None | -23 | 5 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL326702 | 111312 | 18 | None | -23 | 5 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| 9950711 | 109206 | 0 | None | -239 | 3 | Rat | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL321644 | 109206 | 0 | None | -239 | 3 | Rat | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 73438501 | 118529 | 0 | None | -64 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415012 | 118529 | 0 | None | -64 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 73437730 | 118533 | 0 | None | -10 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 437 | 8 | 2 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415016 | 118533 | 0 | None | -10 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 437 | 8 | 2 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 155559152 | 174780 | 0 | None | -3 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 431 | 7 | 2 | 5 | 3.9 | COc1ccc(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmc.2016.09.010 | |||
| CHEMBL4561614 | 174780 | 0 | None | -3 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 431 | 7 | 2 | 5 | 3.9 | COc1ccc(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmc.2016.09.010 | |||
| 155534921 | 171987 | 0 | None | 5 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 461 | 8 | 2 | 6 | 3.9 | COc1ccc(OC)c(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/j.bmc.2016.09.010 | |||
| CHEMBL4471070 | 171987 | 0 | None | 5 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 461 | 8 | 2 | 6 | 3.9 | COc1ccc(OC)c(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/j.bmc.2016.09.010 | |||
| 73437674 | 118531 | 0 | None | -7 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 434 | 10 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415014 | 118531 | 0 | None | -7 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 434 | 10 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/acs.jmedchem.9b01465 | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 52942381 | 17892 | 0 | None | 2 | 3 | Golden hamster | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 339 | 2 | 1 | 4 | 3.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259113 | 17892 | 0 | None | 2 | 3 | Golden hamster | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 339 | 2 | 1 | 4 | 3.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 | 10.1021/jm100652h | |||
| 11742834 | 165770 | 0 | None | 1 | 6 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | |||
| CHEMBL42472 | 165770 | 0 | None | 1 | 6 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | |||
| 9824384 | 118787 | 1 | None | 2 | 7 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL342062 | 118787 | 1 | None | 2 | 7 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 164089 | 110353 | 24 | None | -3 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | |||
| CHEMBL324090 | 110353 | 24 | None | -3 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | |||
| 49781892 | 17901 | 0 | None | 1 | 3 | Golden hamster | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259144 | 17901 | 0 | None | 1 | 3 | Golden hamster | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 34580 | 17891 | 2 | None | 1 | 3 | Golden hamster | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 335 | 1 | 0 | 4 | 3.6 | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259112 | 17891 | 2 | None | 1 | 3 | Golden hamster | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 335 | 1 | 0 | 4 | 3.6 | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 | 10.1021/jm100652h | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 122179430 | 121441 | 0 | None | 3 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| CHEMBL3582270 | 121441 | 0 | None | 3 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | |||
| 49781890 | 17897 | 0 | None | 3 | 2 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 406 | 3 | 0 | 7 | 2.8 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cc4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259128 | 17897 | 0 | None | 3 | 2 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 406 | 3 | 0 | 7 | 2.8 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cc4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| 14423371 | 97454 | 1 | None | 1 | 6 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| CHEMBL27013 | 97454 | 1 | None | 1 | 6 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| 164089 | 110353 | 24 | None | -3 | 4 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | |||
| CHEMBL324090 | 110353 | 24 | None | -3 | 4 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | |||
| 145962342 | 161423 | 0 | None | -2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4126860 | 161423 | 0 | None | -2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | |||
| 9824384 | 118787 | 1 | None | 2 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| CHEMBL342062 | 118787 | 1 | None | 2 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| 10252540 | 85357 | 1 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261604 | 85357 | 1 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 132266 | 1278 | 12 | None | 2 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | |||
| 486 | 1278 | 12 | None | 2 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL423294 | 1278 | 12 | None | 2 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | |||
| 132266 | 1278 | 12 | None | 2 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| 486 | 1278 | 12 | None | 2 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL423294 | 1278 | 12 | None | 2 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 49781891 | 17898 | 0 | None | 12 | 2 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 406 | 3 | 0 | 7 | 2.8 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cc4nnnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259129 | 17898 | 0 | None | 12 | 2 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 406 | 3 | 0 | 7 | 2.8 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cc4nnnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| 49781232 | 17924 | 0 | None | 1 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259216 | 17924 | 0 | None | 1 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | |||
| 69782867 | 161583 | 0 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4129291 | 161583 | 0 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 11626704 | 72454 | 0 | None | -3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1021/jm0580398 | |||
| CHEMBL198860 | 72454 | 0 | None | -3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1021/jm0580398 | |||
| 10097792 | 118589 | 0 | None | 1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| CHEMBL341665 | 118589 | 0 | None | 1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| 49781452 | 17866 | 0 | None | 1 | 3 | Golden hamster | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 388 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259042 | 17866 | 0 | None | 1 | 3 | Golden hamster | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 388 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 | 10.1021/jm100652h | |||
| 9891213 | 161502 | 0 | None | -4 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4128084 | 161502 | 0 | None | -4 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 132266 | 1278 | 12 | None | 2 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 486 | 1278 | 12 | None | 2 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| CHEMBL423294 | 1278 | 12 | None | 2 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 49781236 | 17843 | 0 | None | 1 | 3 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1258987 | 17843 | 0 | None | 1 | 3 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 | 10.1021/jm100652h | |||
| 49782998 | 17917 | 0 | None | -1 | 5 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259190 | 17917 | 0 | None | -1 | 5 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 129211 | 3749 | 78 | None | -8 | 15 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| 2562 | 3749 | 78 | None | -8 | 15 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| 488 | 3749 | 78 | None | -8 | 15 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| CHEMBL836 | 3749 | 78 | None | -8 | 15 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| DB00706 | 3749 | 78 | None | -8 | 15 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| 10252540 | 85357 | 1 | None | 1 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261604 | 85357 | 1 | None | 1 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 12765746 | 102280 | 4 | None | 1 | 9 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | |||
| CHEMBL303313 | 102280 | 4 | None | 1 | 9 | Golden hamster | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | |||
| 44428848 | 92294 | 0 | None | 9 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242724 | 92294 | 0 | None | 9 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 49781235 | 17930 | 0 | None | 1 | 3 | Golden hamster | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259232 | 17930 | 0 | None | 1 | 3 | Golden hamster | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 11633517 | 72525 | 0 | None | -1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1 | 10.1021/jm0580398 | |||
| CHEMBL199080 | 72525 | 0 | None | -1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1 | 10.1021/jm0580398 | |||
| 11604548 | 72888 | 0 | None | -3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1021/jm0580398 | |||
| CHEMBL200366 | 72888 | 0 | None | -3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1021/jm0580398 | |||
| 49781450 | 17857 | 0 | None | -1 | 3 | Golden hamster | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259023 | 17857 | 0 | None | -1 | 3 | Golden hamster | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 | 10.1021/jm100652h | |||
| 49782794 | 17916 | 0 | None | 1 | 5 | Golden hamster | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259189 | 17916 | 0 | None | 1 | 5 | Golden hamster | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| 145956955 | 162101 | 0 | None | 1 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4161165 | 162101 | 0 | None | 1 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 145962368 | 161457 | 0 | None | 16 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@H]3CCCC[C@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4127483 | 161457 | 0 | None | 16 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@H]3CCCC[C@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | |||
| 132266 | 1278 | 12 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 486 | 1278 | 12 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| CHEMBL423294 | 1278 | 12 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 76330229 | 106235 | 0 | None | 5 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261605 | 106235 | 0 | None | 5 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138857 | 106235 | 0 | None | 5 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 44428845 | 142362 | 0 | None | 5 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL388884 | 142362 | 0 | None | 5 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 11430491 | 63001 | 0 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| CHEMBL178673 | 63001 | 0 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| 49781893 | 17902 | 0 | None | -2 | 3 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259145 | 17902 | 0 | None | -2 | 3 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 49781234 | 17929 | 0 | None | 1 | 3 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259231 | 17929 | 0 | None | 1 | 3 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| 132266 | 1278 | 12 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | |||
| 486 | 1278 | 12 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | |||
| CHEMBL423294 | 1278 | 12 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | |||
| 10504673 | 202673 | 0 | None | 1 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL61483 | 202673 | 0 | None | 1 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 2435 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| 60149 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| 98 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| CHEMBL12713 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| DB06144 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| 2435 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| 60149 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| 98 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL12713 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| DB06144 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| 2435 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| 60149 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| 98 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| CHEMBL12713 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| DB06144 | 3590 | 83 | None | -3 | 48 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| 49781232 | 17924 | 0 | None | -2 | 4 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259216 | 17924 | 0 | None | -2 | 4 | Golden hamster | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| 49781233 | 17925 | 0 | None | -5 | 2 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259217 | 17925 | 0 | None | -5 | 2 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| 69781970 | 161351 | 0 | None | 10 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4125981 | 161351 | 0 | None | 10 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 10973768 | 107560 | 0 | None | 3 | 9 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 563 | 6 | 1 | 8 | 4.4 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL318901 | 107560 | 0 | None | 3 | 9 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 563 | 6 | 1 | 8 | 4.4 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 11554541 | 71808 | 0 | None | -7 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm0580398 | |||
| CHEMBL196817 | 71808 | 0 | None | -7 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm0580398 | |||
| 11669646 | 72948 | 0 | None | -3 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 | 10.1021/jm0580398 | |||
| CHEMBL200580 | 72948 | 0 | None | -3 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 | 10.1021/jm0580398 | |||
| 49781453 | 17867 | 0 | None | 1 | 3 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 386 | 2 | 0 | 3 | 5.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259043 | 17867 | 0 | None | 1 | 3 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 386 | 2 | 0 | 3 | 5.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1 | 10.1021/jm100652h | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| 3157 | 1470 | 71 | None | 1 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 7170 | 1470 | 71 | None | 1 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 954 | 1470 | 71 | None | 1 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| CHEMBL707 | 1470 | 71 | None | 1 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| DB00590 | 1470 | 71 | None | 1 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 45268939 | 196660 | 0 | None | 1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL564481 | 196660 | 0 | None | 1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| 135418497 | 63039 | 0 | None | -1 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | |||
| CHEMBL1788222 | 63039 | 0 | None | -1 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | |||
| 49782792 | 17911 | 0 | None | -1 | 5 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259174 | 17911 | 0 | None | -1 | 5 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 6603950 | 203324 | 9 | None | 1 | 8 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL64875 | 203324 | 9 | None | 1 | 8 | Golden hamster | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| 8459 | 3298 | 4 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | |||
| 9891980 | 3298 | 4 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | |||
| CHEMBL430717 | 3298 | 4 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 2894 | 208071 | 6 | None | 1 | 5 | Golden hamster | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm020938y | |||
| CHEMBL97698 | 208071 | 6 | None | 1 | 5 | Golden hamster | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm020938y | |||
| 20215436 | 28515 | 3 | None | 1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 355 | 4 | 1 | 8 | 2.1 | COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| CHEMBL137598 | 28515 | 3 | None | 1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 355 | 4 | 1 | 8 | 2.1 | COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| 44428851 | 92318 | 0 | None | 6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242934 | 92318 | 0 | None | 6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 52947579 | 17050 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 439 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254582 | 17050 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 439 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 49781894 | 17906 | 0 | None | 2 | 3 | Golden hamster | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259158 | 17906 | 0 | None | 2 | 3 | Golden hamster | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 | 10.1021/jm100652h | |||
| 145962478 | 162249 | 0 | None | 4 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4163587 | 162249 | 0 | None | 4 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 10364994 | 167885 | 0 | None | -7 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1021/jm0580398 | |||
| CHEMBL43116 | 167885 | 0 | None | -7 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1021/jm0580398 | |||
| 10364994 | 167885 | 0 | None | -7 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL43116 | 167885 | 0 | None | -7 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 11430126 | 60563 | 0 | None | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| CHEMBL175934 | 60563 | 0 | None | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | |||
| 9913988 | 17915 | 0 | None | 1 | 3 | Golden hamster | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 502 | 7 | 1 | 7 | 3.1 | Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | |||
| CHEMBL1259188 | 17915 | 0 | None | 1 | 3 | Golden hamster | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 502 | 7 | 1 | 7 | 3.1 | Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | |||
| 1238 | 203174 | 24 | None | -3 | 16 | Golden hamster | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL64249 | 203174 | 24 | None | -3 | 16 | Golden hamster | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| 11712250 | 73000 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl | 10.1021/jm0580398 | |||
| CHEMBL200839 | 73000 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl | 10.1021/jm0580398 | |||
| 2894 | 208071 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| CHEMBL97698 | 208071 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| 136 | 3292 | 32 | None | -29 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 223 | 3292 | 32 | None | -29 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 643606 | 3292 | 32 | None | -29 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| CHEMBL10347 | 3292 | 32 | None | -29 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 13151 | 981 | 0 | None | -3 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | |||
| 9930376 | 981 | 0 | None | -3 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609360 | 981 | 0 | None | -3 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | |||
| 9798183 | 13140 | 0 | None | 33 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1190579 | 13140 | 0 | None | 33 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL541129 | 13140 | 0 | None | 33 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| 3157 | 1470 | 71 | None | -1 | 10 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| 7170 | 1470 | 71 | None | -1 | 10 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| 954 | 1470 | 71 | None | -1 | 10 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL707 | 1470 | 71 | None | -1 | 10 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| DB00590 | 1470 | 71 | None | -1 | 10 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| 10074286 | 205504 | 0 | None | -3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 489 | 9 | 1 | 8 | 3.5 | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80730 | 205504 | 0 | None | -3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 489 | 9 | 1 | 8 | 3.5 | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 10789770 | 100885 | 0 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL293695 | 100885 | 0 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10812130 | 199181 | 0 | None | -7 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | |||
| CHEMBL58956 | 199181 | 0 | None | -7 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | |||
| 132891 | 5312 | 14 | None | -2 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | |||
| CHEMBL106737 | 5312 | 14 | None | -2 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | |||
| 11751173 | 63426 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| CHEMBL179743 | 63426 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| 10917953 | 207988 | 0 | None | -1 | 9 | Golden hamster | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 489 | 6 | 0 | 8 | 3.6 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL97242 | 207988 | 0 | None | -1 | 9 | Golden hamster | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 489 | 6 | 0 | 8 | 3.6 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 3584 | 3777 | 64 | None | 1 | 13 | Golden hamster | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| 5401 | 3777 | 64 | None | 1 | 13 | Golden hamster | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| 7302 | 3777 | 64 | None | 1 | 13 | Golden hamster | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| CHEMBL611 | 3777 | 64 | None | 1 | 13 | Golden hamster | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| DB01162 | 3777 | 64 | None | 1 | 13 | Golden hamster | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| 10252540 | 85357 | 1 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261604 | 85357 | 1 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 132266 | 1278 | 12 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| 486 | 1278 | 12 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL423294 | 1278 | 12 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| 9824384 | 118787 | 1 | None | 2 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| CHEMBL342062 | 118787 | 1 | None | 2 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| 49781448 | 17850 | 0 | None | -1 | 3 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 2 | 0 | 4 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1 | 10.1021/jm100652h | |||
| CHEMBL1259005 | 17850 | 0 | None | -1 | 3 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 2 | 0 | 4 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1 | 10.1021/jm100652h | |||
| 3157 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 7170 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 954 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| CHEMBL707 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| DB00590 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 10622402 | 202760 | 0 | None | -18 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 5 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | |||
| CHEMBL62028 | 202760 | 0 | None | -18 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 5 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | |||
| 10430193 | 161598 | 0 | None | -4 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4129461 | 161598 | 0 | None | -4 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 11134424 | 104731 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 465 | 7 | 1 | 7 | 3.5 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0009336 | |||
| CHEMBL310599 | 104731 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 465 | 7 | 1 | 7 | 3.5 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0009336 | |||
| 145960918 | 161528 | 0 | None | 7 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4128460 | 161528 | 0 | None | 7 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 11712470 | 72005 | 0 | None | -12 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1021/jm0580398 | |||
| CHEMBL197442 | 72005 | 0 | None | -12 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1021/jm0580398 | |||
| 11539392 | 141242 | 0 | None | -6 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C | 10.1021/jm0580398 | |||
| CHEMBL382972 | 141242 | 0 | None | -6 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C | 10.1021/jm0580398 | |||
| 52945803 | 17066 | 0 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 15 | 1 | 6 | 5.1 | CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254742 | 17066 | 0 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 15 | 1 | 6 | 5.1 | CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 3157 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| 7170 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| 954 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| CHEMBL707 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| DB00590 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| 3157 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| 7170 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| 954 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| CHEMBL707 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| DB00590 | 1470 | 71 | None | -1 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| 49781678 | 17878 | 0 | None | 1 | 3 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 | 10.1021/jm100652h | |||
| CHEMBL1259079 | 17878 | 0 | None | 1 | 3 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 | 10.1021/jm100652h | |||
| 4209 | 3163 | 75 | None | -17 | 33 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| 4893 | 3163 | 75 | None | -17 | 33 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| 503 | 3163 | 75 | None | -17 | 33 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| 5385 | 3163 | 75 | None | -17 | 33 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| CHEMBL2 | 3163 | 75 | None | -17 | 33 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| DB00457 | 3163 | 75 | None | -17 | 33 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| 90645597 | 112489 | 0 | None | -5 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 654 | 12 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298750 | 112489 | 0 | None | -5 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 654 | 12 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10527466 | 202687 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 5 | 2 | 6 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL61598 | 202687 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 5 | 2 | 6 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10673690 | 100502 | 0 | None | -2 | 2 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL291073 | 100502 | 0 | None | -2 | 2 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 76308474 | 106234 | 0 | None | 4 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261607 | 106234 | 0 | None | 4 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138856 | 106234 | 0 | None | 4 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| 76323010 | 106248 | 0 | None | 5 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261606 | 106248 | 0 | None | 5 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138929 | 106248 | 0 | None | 5 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 16721032 | 92188 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242507 | 92188 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 44428846 | 92189 | 0 | None | 4 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242508 | 92189 | 0 | None | 4 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | |||
| 49782791 | 17910 | 0 | None | -2 | 5 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259173 | 17910 | 0 | None | -2 | 5 | Golden hamster | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 145953314 | 161429 | 0 | None | 4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4127078 | 161429 | 0 | None | 4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | |||
| 10741071 | 169217 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL440865 | 169217 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 6603950 | 203324 | 9 | None | 1 | 8 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | |||
| CHEMBL64875 | 203324 | 9 | None | 1 | 8 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | |||
| 10767981 | 196262 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 509 | 11 | 1 | 9 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL561851 | 196262 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 509 | 11 | 1 | 9 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| 49781677 | 17873 | 0 | None | 1 | 3 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1 | 10.1021/jm100652h | |||
| CHEMBL1259063 | 17873 | 0 | None | 1 | 3 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1 | 10.1021/jm100652h | |||
| 4431 | 2729 | 25 | None | -2 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | |||
| 73 | 2729 | 25 | None | -2 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL8618 | 2729 | 25 | None | -2 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | |||
| 3157 | 1470 | 71 | None | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| 7170 | 1470 | 71 | None | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| 954 | 1470 | 71 | None | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| CHEMBL707 | 1470 | 71 | None | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| DB00590 | 1470 | 71 | None | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 11583392 | 72914 | 1 | None | -31 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1 | 10.1021/jm0580398 | |||
| CHEMBL200446 | 72914 | 1 | None | -31 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1 | 10.1021/jm0580398 | |||
| 10678154 | 170601 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL445071 | 170601 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10621309 | 202775 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL62110 | 202775 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 49781228 | 17205 | 1 | None | -31 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| CHEMBL1256414 | 17205 | 1 | None | -31 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| 10344976 | 101215 | 2 | None | -2 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| CHEMBL29591 | 101215 | 2 | None | -2 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| 2389 | 3331 | 118 | None | -8 | 67 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 5073 | 3331 | 118 | None | -8 | 67 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 96 | 3331 | 118 | None | -8 | 67 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| CHEMBL85 | 3331 | 118 | None | -8 | 67 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| DB00734 | 3331 | 118 | None | -8 | 67 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 102 | 4127 | 48 | None | -194 | 49 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 3659 | 4127 | 48 | None | -194 | 49 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 8969 | 4127 | 48 | None | -194 | 49 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| CHEMBL15245 | 4127 | 48 | None | -194 | 49 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| DB01392 | 4127 | 48 | None | -194 | 49 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 9826801 | 107937 | 0 | None | -4 | 11 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL319352 | 107937 | 0 | None | -4 | 11 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 122065 | 189549 | 3 | None | -2 | 8 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 380 | 5 | 1 | 6 | 1.5 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 | 10.1021/jm970159v | |||
| CHEMBL51433 | 189549 | 3 | None | -2 | 8 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 380 | 5 | 1 | 6 | 1.5 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 | 10.1021/jm970159v | |||
| 9797995 | 13947 | 0 | None | 51 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 4.6 | c1ccc2c(C3CCN(CCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1196601 | 13947 | 0 | None | 51 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 4.6 | c1ccc2c(C3CCN(CCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL557584 | 13947 | 0 | None | 51 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 4.6 | c1ccc2c(C3CCN(CCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 9826801 | 107937 | 0 | None | -4 | 11 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL319352 | 107937 | 0 | None | -4 | 11 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1016/j.bmc.2012.10.049 | |||
| 9932698 | 17909 | 0 | None | -6 | 5 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 3.4 | NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | |||
| CHEMBL1259172 | 17909 | 0 | None | -6 | 5 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 3.4 | NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | |||
| 9826801 | 107937 | 0 | None | -4 | 11 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | |||
| CHEMBL319352 | 107937 | 0 | None | -4 | 11 | Golden hamster | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | |||
| 44289248 | 168976 | 0 | None | -12 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | |||
| CHEMBL43905 | 168976 | 0 | None | -12 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | |||
| 10763038 | 202675 | 0 | None | -1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL61491 | 202675 | 0 | None | -1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 145962945 | 161343 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4125846 | 161343 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 49781447 | 17844 | 0 | None | -14 | 3 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 391 | 2 | 0 | 6 | 3.5 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1258988 | 17844 | 0 | None | -14 | 3 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 391 | 2 | 0 | 6 | 3.5 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| 49781679 | 17879 | 0 | None | 1 | 3 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C | 10.1021/jm100652h | |||
| CHEMBL1259080 | 17879 | 0 | None | 1 | 3 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C | 10.1021/jm100652h | |||
| 11039289 | 116840 | 0 | None | -12 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | |||
| CHEMBL338029 | 116840 | 0 | None | -12 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | |||
| 13911290 | 28171 | 0 | None | -6 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13735 | 28171 | 0 | None | -6 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 44289437 | 169863 | 0 | None | -6 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | |||
| CHEMBL44403 | 169863 | 0 | None | -6 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 9865801 | 94724 | 10 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1021/jm960697s | |||
| CHEMBL25300 | 94724 | 10 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1021/jm960697s | |||
| 11454386 | 63107 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| CHEMBL178923 | 63107 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| 107715 | 200945 | 22 | None | -7 | 19 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL1255837 | 200945 | 22 | None | -7 | 19 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL601773 | 200945 | 22 | None | -7 | 19 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| 10740369 | 201863 | 0 | None | -1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 411 | 4 | 1 | 6 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL60721 | 201863 | 0 | None | -1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 411 | 4 | 1 | 6 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 9934709 | 167824 | 0 | None | -1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 476 | 6 | 2 | 3 | 5.1 | O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| CHEMBL430706 | 167824 | 0 | None | -1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 476 | 6 | 2 | 3 | 5.1 | O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| 2470 | 3653 | 50 | None | -102 | 59 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | |||
| 3300 | 3653 | 50 | None | -102 | 59 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | |||
| 5265 | 3653 | 50 | None | -102 | 59 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | |||
| 99 | 3653 | 50 | None | -102 | 59 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | |||
| CHEMBL267930 | 3653 | 50 | None | -102 | 59 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | |||
| 49781228 | 17205 | 1 | None | -31 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| CHEMBL1256414 | 17205 | 1 | None | -31 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| 10716965 | 167960 | 0 | None | -14 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL431720 | 167960 | 0 | None | -14 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 76326562 | 106206 | 0 | None | 5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261608 | 106206 | 0 | None | 5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138761 | 106206 | 0 | None | 5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 44428847 | 92293 | 0 | None | 5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242723 | 92293 | 0 | None | 5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 9931977 | 63040 | 0 | None | 1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | |||
| CHEMBL1788223 | 63040 | 0 | None | 1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | |||
| 45268939 | 196660 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL564481 | 196660 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 24894147 | 195881 | 0 | None | -2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL558890 | 195881 | 0 | None | -2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| 6761 | 67799 | 19 | None | -1 | 18 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| CHEMBL1909072 | 67799 | 19 | None | -1 | 18 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 10994812 | 205096 | 0 | None | -3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL77618 | 205096 | 0 | None | -3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 10005161 | 205249 | 0 | None | -7 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0009336 | |||
| CHEMBL78874 | 205249 | 0 | None | -7 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0009336 | |||
| 9798656 | 12890 | 0 | None | 24 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188902 | 12890 | 0 | None | 24 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL537651 | 12890 | 0 | None | 24 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 10693231 | 202762 | 0 | None | -10 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL62033 | 202762 | 0 | None | -10 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10256583 | 28832 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 497 | 7 | 1 | 7 | 4.1 | COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| CHEMBL137903 | 28832 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 497 | 7 | 1 | 7 | 4.1 | COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| 44312563 | 204920 | 2 | None | -1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | |||
| CHEMBL76168 | 204920 | 2 | None | -1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | |||
| 49781449 | 17851 | 0 | None | -6 | 3 | Golden hamster | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259006 | 17851 | 0 | None | -6 | 3 | Golden hamster | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 | 10.1021/jm100652h | |||
| 71454559 | 79644 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 | 10.1021/jm000541z | |||
| CHEMBL2115086 | 79644 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 | 10.1021/jm000541z | |||
| 10692195 | 100606 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL291839 | 100606 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10647175 | 131455 | 0 | None | -6 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 449 | 5 | 1 | 7 | 2.1 | COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | |||
| CHEMBL369154 | 131455 | 0 | None | -6 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 449 | 5 | 1 | 7 | 2.1 | COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | |||
| 90645601 | 112434 | 0 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 10 | 2 | 9 | 3.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298019 | 112434 | 0 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 10 | 2 | 9 | 3.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10698013 | 100440 | 0 | None | -6 | 2 | Golden hamster | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 518 | 5 | 1 | 7 | 3.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL290519 | 100440 | 0 | None | -6 | 2 | Golden hamster | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 518 | 5 | 1 | 7 | 3.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10928520 | 205594 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 7 | 1 | 7 | 3.3 | COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL81486 | 205594 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 7 | 1 | 7 | 3.3 | COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 11092112 | 207628 | 0 | None | -3 | 8 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 485 | 6 | 0 | 6 | 4.9 | O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | |||
| CHEMBL95175 | 207628 | 0 | None | -3 | 8 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 485 | 6 | 0 | 6 | 4.9 | O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | |||
| 49781681 | 17886 | 0 | None | 1 | 3 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 428 | 2 | 0 | 3 | 6.3 | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 | 10.1021/jm100652h | |||
| CHEMBL1259098 | 17886 | 0 | None | 1 | 3 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 428 | 2 | 0 | 3 | 6.3 | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 | 10.1021/jm100652h | |||
| 4013695 | 102015 | 20 | None | -8 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL301707 | 102015 | 20 | None | -8 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 4013695 | 102015 | 20 | None | -8 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL301707 | 102015 | 20 | None | -8 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 4013695 | 102015 | 20 | None | -8 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL301707 | 102015 | 20 | None | -8 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 4013695 | 102015 | 20 | None | -8 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL301707 | 102015 | 20 | None | -8 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm0307741 | |||
| 9847196 | 30181 | 0 | None | -7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13903 | 30181 | 0 | None | -7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 52942395 | 17921 | 0 | None | -3 | 5 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL1259203 | 17921 | 0 | None | -3 | 5 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | |||
| 49781451 | 17858 | 0 | None | -1 | 3 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259024 | 17858 | 0 | None | -1 | 3 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 | 10.1021/jm100652h | |||
| 52942395 | 17921 | 0 | None | -3 | 5 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259203 | 17921 | 0 | None | -3 | 5 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1021/jm100652h | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| 13155 | 3422 | 0 | None | -33 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | |||
| 90645598 | 3422 | 0 | None | -33 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3297829 | 3422 | 0 | None | -33 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | |||
| 50905381 | 56350 | 0 | None | -7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630938 | 56350 | 0 | None | -7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 10553935 | 161820 | 0 | None | -4 | 2 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL41444 | 161820 | 0 | None | -4 | 2 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 31101 | 729 | 40 | None | -5 | 36 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 35 | 729 | 40 | None | -5 | 36 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 403 | 729 | 40 | None | -5 | 36 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| CHEMBL493 | 729 | 40 | None | -5 | 36 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| DB01200 | 729 | 40 | None | -5 | 36 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 2585 | 803 | 103 | None | -6 | 21 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 803 | 103 | None | -6 | 21 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 803 | 103 | None | -6 | 21 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 803 | 103 | None | -6 | 21 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 803 | 103 | None | -6 | 21 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 11532563 | 166379 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1021/jm0580398 | |||
| CHEMBL427552 | 166379 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1021/jm0580398 | |||
| 19085858 | 104152 | 0 | None | -173 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 501 | 7 | 0 | 8 | 3.6 | CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL309518 | 104152 | 0 | None | -173 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 501 | 7 | 0 | 8 | 3.6 | CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | |||
| CHEMBL5272034 | 194611 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315277 | 194611 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | |||
| 135398737 | 958 | 93 | None | -4 | 89 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 38 | 958 | 93 | None | -4 | 89 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 722 | 958 | 93 | None | -4 | 89 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| CHEMBL42 | 958 | 93 | None | -4 | 89 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| DB00363 | 958 | 93 | None | -4 | 89 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 2389 | 3331 | 118 | None | -26 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| 5073 | 3331 | 118 | None | -26 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| 96 | 3331 | 118 | None | -26 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| CHEMBL85 | 3331 | 118 | None | -26 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| DB00734 | 3331 | 118 | None | -26 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| 115 | 343 | 71 | None | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| 2092 | 343 | 71 | None | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| 7109 | 343 | 71 | None | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| CHEMBL709 | 343 | 71 | None | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| DB00346 | 343 | 71 | None | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| 46934793 | 16629 | 0 | None | -7 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1241557 | 16629 | 0 | None | -7 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 90645592 | 112484 | 0 | None | -17 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 555 | 7 | 2 | 8 | 4.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298745 | 112484 | 0 | None | -17 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 555 | 7 | 2 | 8 | 4.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | |||
| 44298624 | 195707 | 0 | None | -63 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.5 | Cc1c[nH]c(=O)n(CCCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL55695 | 195707 | 0 | None | -63 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.5 | Cc1c[nH]c(=O)n(CCCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 9844321 | 100861 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293539 | 100861 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 10810527 | 100573 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL291588 | 100573 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 44420408 | 141758 | 0 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 2.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL386005 | 141758 | 0 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 2.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 11994667 | 11831 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182143 | 11831 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214694 | 11831 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 24824726 | 161109 | 1 | None | -128 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL4060529 | 161109 | 1 | None | -128 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL4117079 | 161109 | 1 | None | -128 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5282336 | 161109 | 1 | None | -128 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5286389 | 161109 | 1 | None | -128 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| 10841070 | 37679 | 0 | None | -275 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145746 | 37679 | 0 | None | -275 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 242 | 470 | 124 | None | -21 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| 34 | 470 | 124 | None | -21 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| 60795 | 470 | 124 | None | -21 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| CHEMBL1112 | 470 | 124 | None | -21 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| DB01238 | 470 | 124 | None | -21 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| 2337 | 3256 | 77 | None | -3 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| 50 | 3256 | 77 | None | -3 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| 5002 | 3256 | 77 | None | -3 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| CHEMBL716 | 3256 | 77 | None | -3 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| DB01224 | 3256 | 77 | None | -3 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| 24803799 | 61326 | 0 | None | -50 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 654 | 13 | 0 | 6 | 8.3 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | |||
| CHEMBL1767161 | 61326 | 0 | None | -50 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 654 | 13 | 0 | 6 | 8.3 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 46881494 | 6608 | 0 | None | -97 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 4.7 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1083182 | 6608 | 0 | None | -97 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 4.7 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 52947088 | 17110 | 0 | None | -12 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 391 | 11 | 1 | 4 | 4.9 | Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1255003 | 17110 | 0 | None | -12 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 391 | 11 | 1 | 4 | 4.9 | Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 52944674 | 17122 | 0 | None | -19 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 395 | 11 | 3 | 6 | 3.7 | Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1255085 | 17122 | 0 | None | -19 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 395 | 11 | 3 | 6 | 3.7 | Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 52941056 | 17123 | 0 | None | -12 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 363 | 11 | 1 | 4 | 4.3 | c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1255086 | 17123 | 0 | None | -12 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 363 | 11 | 1 | 4 | 4.3 | c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 | 10.1016/j.bmc.2010.08.002 | |||
| 10651219 | 33738 | 0 | None | -1000 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 600 | 10 | 3 | 8 | 2.1 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL142236 | 33738 | 0 | None | -1000 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 600 | 10 | 3 | 8 | 2.1 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 10627279 | 37213 | 0 | None | -47 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 592 | 9 | 3 | 8 | 3.0 | CNC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL145334 | 37213 | 0 | None | -47 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 592 | 9 | 3 | 8 | 3.0 | CNC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 10745766 | 37484 | 0 | None | -141 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 2.7 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| CHEMBL145562 | 37484 | 0 | None | -141 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 2.7 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| 44298694 | 100692 | 0 | None | -50 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL292403 | 100692 | 0 | None | -50 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 9804599 | 101700 | 0 | None | -79 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 430 | 7 | 1 | 6 | 1.8 | O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL299452 | 101700 | 0 | None | -79 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 430 | 7 | 1 | 6 | 1.8 | O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 44298650 | 163155 | 0 | None | -398 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 448 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL417954 | 163155 | 0 | None | -398 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 448 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 44298735 | 198460 | 0 | None | -39 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 8 | 1 | 6 | 3.0 | CC(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL57740 | 198460 | 0 | None | -39 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 8 | 1 | 6 | 3.0 | CC(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 11811395 | 204701 | 0 | None | 2 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL74071 | 204701 | 0 | None | 2 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10287730 | 3536 | 40 | None | -1258 | 12 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | |||
| 77 | 3536 | 40 | None | -1258 | 12 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | |||
| CHEMBL425190 | 3536 | 40 | None | -1258 | 12 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | |||
| 135398745 | 2914 | 112 | None | -61 | 65 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| 47 | 2914 | 112 | None | -61 | 65 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| CHEMBL715 | 2914 | 112 | None | -61 | 65 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| DB00334 | 2914 | 112 | None | -61 | 65 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| 52937829 | 61318 | 0 | None | -630 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 313 | 6 | 0 | 4 | 3.2 | CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12 | 10.1021/jm1013874 | |||
| CHEMBL1767153 | 61318 | 0 | None | -630 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 313 | 6 | 0 | 4 | 3.2 | CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12 | 10.1021/jm1013874 | |||
| 10413595 | 161841 | 0 | None | -3162 | 11 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.5 | COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | |||
| CHEMBL414628 | 161841 | 0 | None | -3162 | 11 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.5 | COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | |||
| 118716705 | 114998 | 0 | None | -112 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 424 | 5 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342858 | 114998 | 0 | None | -112 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 424 | 5 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118716711 | 115005 | 0 | None | -16 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342864 | 115005 | 0 | None | -16 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118716712 | 115006 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 443 | 4 | 0 | 6 | 2.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342865 | 115006 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 443 | 4 | 0 | 6 | 2.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 9935387 | 99442 | 0 | None | -1258 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1 | 10.1016/s0960-894x(02)00172-5 | |||
| CHEMBL282971 | 99442 | 0 | None | -1258 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1 | 10.1016/s0960-894x(02)00172-5 | |||
| 18738380 | 11941 | 0 | None | -354 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 417 | 9 | 1 | 6 | 1.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL11828 | 11941 | 0 | None | -354 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 417 | 9 | 1 | 6 | 1.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 9866614 | 14715 | 1 | None | -15135 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12062 | 14715 | 1 | None | -15135 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 44267890 | 16507 | 0 | None | -77 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 2.0 | O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12364 | 16507 | 0 | None | -77 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 2.0 | O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 44267912 | 16883 | 0 | None | -102 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 1.3 | COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12501 | 16883 | 0 | None | -102 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 1.3 | COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 15546405 | 97158 | 0 | None | -190 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 416 | 8 | 0 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL268030 | 97158 | 0 | None | -190 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 416 | 8 | 0 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 12039032 | 98262 | 0 | None | -23 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 415 | 9 | 0 | 6 | 2.1 | CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL274529 | 98262 | 0 | None | -23 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 415 | 9 | 0 | 6 | 2.1 | CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 44267817 | 163250 | 0 | None | -120 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 420 | 8 | 1 | 5 | 1.9 | CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL418531 | 163250 | 0 | None | -120 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 420 | 8 | 1 | 5 | 1.9 | CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 9900133 | 8985 | 0 | None | -109 | 3 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109827 | 8985 | 0 | None | -109 | 3 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 76319344 | 85337 | 0 | None | -34 | 2 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 289 | 2 | 3 | 5 | 2.0 | COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261351 | 85337 | 0 | None | -34 | 2 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 289 | 2 | 3 | 5 | 2.0 | COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 76326540 | 85338 | 0 | None | -1 | 2 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 274 | 2 | 4 | 4 | 1.3 | NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261352 | 85338 | 0 | None | -1 | 2 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 274 | 2 | 4 | 4 | 1.3 | NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 9815005 | 109661 | 0 | None | -7 | 2 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL322492 | 109661 | 0 | None | -7 | 2 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 53328504 | 63393 | 0 | None | -6 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 445 | 5 | 0 | 4 | 4.0 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796038 | 63393 | 0 | None | -6 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 445 | 5 | 0 | 4 | 4.0 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 9900133 | 8985 | 0 | None | -109 | 3 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL109827 | 8985 | 0 | None | -109 | 3 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 11277157 | 9381 | 0 | None | - | 1 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 267 | 5 | 2 | 4 | 1.0 | CCS(=O)(=O)Nc1cccc(CC2CN=CN2)c1 | 10.1021/jm030551a | |||
| CHEMBL111412 | 9381 | 0 | None | - | 1 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 267 | 5 | 2 | 4 | 1.0 | CCS(=O)(=O)Nc1cccc(CC2CN=CN2)c1 | 10.1021/jm030551a | |||
| 9815005 | 109661 | 0 | None | -7 | 2 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL322492 | 109661 | 0 | None | -7 | 2 | Golden hamster | 5.0 | pKi | = | 5 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 11144809 | 207770 | 0 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 3.9 | CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC2)cc1 | 10.1021/jm0307741 | |||
| CHEMBL95986 | 207770 | 0 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 3.9 | CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC2)cc1 | 10.1021/jm0307741 | |||
| 44431611 | 87485 | 0 | None | -66 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233410 | 87485 | 0 | None | -66 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 155529118 | 176564 | 0 | None | -8 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4462768 | 176564 | 0 | None | -8 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4597358 | 176564 | 0 | None | -8 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 155525650 | 176638 | 0 | None | -19 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4457585 | 176638 | 0 | None | -19 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4597956 | 176638 | 0 | None | -19 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 49781005 | 17214 | 0 | None | -58 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256503 | 17214 | 0 | None | -58 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10787126 | 84570 | 0 | None | -13 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153558 | 84570 | 0 | None | -13 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220897 | 84570 | 0 | None | -13 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 9906978 | 42711 | 2 | None | -3 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| CHEMBL150161 | 42711 | 2 | None | -3 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| 11653915 | 124012 | 0 | None | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL362954 | 124012 | 0 | None | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | |||
| 44289525 | 165995 | 0 | None | -112 | 8 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL42539 | 165995 | 0 | None | -112 | 8 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 10506674 | 119724 | 0 | None | -354 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 542 | 9 | 3 | 7 | 3.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| CHEMBL347559 | 119724 | 0 | None | -354 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 542 | 9 | 3 | 7 | 3.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| 2803 | 955 | 58 | None | -7 | 19 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 516 | 955 | 58 | None | -7 | 19 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 704 | 955 | 58 | None | -7 | 19 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| CHEMBL134 | 955 | 58 | None | -7 | 19 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| DB00575 | 955 | 58 | None | -7 | 19 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 44431547 | 154604 | 0 | None | -42 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL399195 | 154604 | 0 | None | -42 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44538690 | 109851 | 0 | None | -117 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 3.9 | O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1 | 10.1021/jm401958n | |||
| CHEMBL3233432 | 109851 | 0 | None | -117 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 3.9 | O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1 | 10.1021/jm401958n | |||
| 9796525 | 9407 | 0 | None | -5 | 2 | Golden hamster | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111584 | 9407 | 0 | None | -5 | 2 | Golden hamster | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | |||
| 3086326 | 204531 | 22 | None | -281 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL72753 | 204531 | 22 | None | -281 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 9922027 | 115410 | 0 | None | -10 | 2 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL3350265 | 115410 | 0 | None | -10 | 2 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 10643994 | 77256 | 0 | None | 2 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL2079655 | 77256 | 0 | None | 2 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 10745870 | 36718 | 0 | None | -5248 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 584 | 9 | 2 | 7 | 2.8 | COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL144938 | 36718 | 0 | None | -5248 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 584 | 9 | 2 | 7 | 2.8 | COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 23290944 | 81826 | 0 | None | -691 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 392 | 6 | 0 | 4 | 3.8 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | |||
| CHEMBL2164350 | 81826 | 0 | None | -691 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 392 | 6 | 0 | 4 | 3.8 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | |||
| 44431560 | 145578 | 0 | None | -46 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL391530 | 145578 | 0 | None | -46 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 12134995 | 102142 | 0 | None | -7 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 5 | 1 | 5 | 2.6 | COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL302495 | 102142 | 0 | None | -7 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 5 | 1 | 5 | 2.6 | COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 11857711 | 85621 | 0 | None | -58 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228280 | 85621 | 0 | None | -58 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| 16040907 | 97883 | 0 | None | -4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL272340 | 97883 | 0 | None | -4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 53328315 | 63390 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796035 | 63390 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 155536203 | 176407 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4473623 | 176407 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4596045 | 176407 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 10219 | 188796 | 37 | None | -14 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| CHEMBL493439 | 188796 | 37 | None | -14 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| CHEMBL50588 | 188796 | 37 | None | -14 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| 19085832 | 163776 | 0 | None | -5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 483 | 6 | 0 | 7 | 3.5 | Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL420578 | 163776 | 0 | None | -5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 483 | 6 | 0 | 7 | 3.5 | Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | |||
| 44431551 | 87210 | 0 | None | -32 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232779 | 87210 | 0 | None | -32 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431174 | 92803 | 0 | None | -3548 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243692 | 92803 | 0 | None | -3548 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 44431560 | 145578 | 0 | None | -46 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391530 | 145578 | 0 | None | -46 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| 44433348 | 90263 | 0 | None | -40 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL238401 | 90263 | 0 | None | -40 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | |||
| 118716709 | 115003 | 0 | None | -5 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342862 | 115003 | 0 | None | -5 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118716717 | 115011 | 0 | None | -20 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342870 | 115011 | 0 | None | -20 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 122187556 | 123058 | 0 | None | 7 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 307 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCn4cccc4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609355 | 123058 | 0 | None | 7 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 307 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCn4cccc4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| 11393666 | 192986 | 0 | None | -28 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5201983 | 192986 | 0 | None | -28 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5222597 | 192986 | 0 | None | -28 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| 10743111 | 198695 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL58105 | 198695 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 49781007 | 17241 | 0 | None | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256566 | 17241 | 0 | None | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 11486511 | 101584 | 0 | None | -33 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL298595 | 101584 | 0 | None | -33 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 15480820 | 208429 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 4 | 3 | 6 | 1.7 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL99879 | 208429 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 4 | 3 | 6 | 1.7 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2O)CC1 | 10.1021/jm0307741 | |||
| 56649649 | 67857 | 0 | None | -128 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| CHEMBL1910140 | 67857 | 0 | None | -128 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| 10839106 | 111595 | 0 | None | -5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL328268 | 111595 | 0 | None | -5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| 10793023 | 121522 | 0 | None | -60 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(C)c1 | 10.1021/jm990200p | |||
| CHEMBL358489 | 121522 | 0 | None | -60 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(C)c1 | 10.1021/jm990200p | |||
| 11338314 | 171370 | 0 | None | -194 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 | 10.1021/jm0491391 | |||
| CHEMBL446180 | 171370 | 0 | None | -194 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 | 10.1021/jm0491391 | |||
| 70820518 | 167527 | 0 | None | -64 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4213747 | 167527 | 0 | None | -64 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4300105 | 167527 | 0 | None | -64 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| 10839825 | 206741 | 0 | None | -2818 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL89965 | 206741 | 0 | None | -2818 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| 44288816 | 155311 | 0 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 443 | 8 | 1 | 3 | 5.4 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL40303 | 155311 | 0 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 443 | 8 | 1 | 3 | 5.4 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44431545 | 145020 | 0 | None | -20 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391107 | 145020 | 0 | None | -20 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 126720252 | 164675 | 0 | None | -38 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| CHEMBL4216870 | 164675 | 0 | None | -38 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| 44431560 | 145578 | 0 | None | -46 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391530 | 145578 | 0 | None | -46 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| 16041449 | 95220 | 0 | None | -19 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256040 | 95220 | 0 | None | -19 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 53328311 | 63385 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 421 | 7 | 0 | 5 | 3.1 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796030 | 63385 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 421 | 7 | 0 | 5 | 3.1 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 53328312 | 63386 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796031 | 63386 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 53328503 | 63392 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 3.4 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796037 | 63392 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 3.4 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 44414203 | 13026 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 6 | 0 | 2 | 3.8 | c1ccc(CC2CCN(CCCN3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1189870 | 13026 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 6 | 0 | 2 | 3.8 | c1ccc(CC2CCN(CCCN3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL539600 | 13026 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 6 | 0 | 2 | 3.8 | c1ccc(CC2CCN(CCCN3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2006.05.002 | |||
| 481 | 2892 | 7 | None | -11 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | |||
| 9838763 | 2892 | 7 | None | -11 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | |||
| CHEMBL72958 | 2892 | 7 | None | -11 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | |||
| 1971 | 2866 | 38 | None | -5 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 2866 | 38 | None | -5 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 2866 | 38 | None | -5 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 2866 | 38 | None | -5 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 2866 | 38 | None | -5 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 10651654 | 111483 | 0 | None | -61 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | |||
| CHEMBL327712 | 111483 | 0 | None | -61 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | |||
| 127040061 | 136926 | 0 | None | -30 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3739932 | 136926 | 0 | None | -30 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3742489 | 136926 | 0 | None | -30 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 72457 | 102274 | 14 | None | 4 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 342 | 3 | 4 | 3 | 4.0 | O=C(c1nc(-c2c[nH]c3ccccc23)c[nH]1)c1c[nH]c2cc(O)ccc12 | 10.1016/0960-894X(96)00376-9 | |||
| CHEMBL303282 | 102274 | 14 | None | 4 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 342 | 3 | 4 | 3 | 4.0 | O=C(c1nc(-c2c[nH]c3ccccc23)c[nH]1)c1c[nH]c2cc(O)ccc12 | 10.1016/0960-894X(96)00376-9 | |||
| 71652196 | 87454 | 0 | None | -33 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 368 | 4 | 1 | 5 | 3.6 | Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 | 10.1016/j.ejmech.2012.08.011 | |||
| CHEMBL2333732 | 87454 | 0 | None | -33 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 368 | 4 | 1 | 5 | 3.6 | Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 | 10.1016/j.ejmech.2012.08.011 | |||
| 19085836 | 205665 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL82056 | 205665 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 | 10.1016/s0960-894x(98)00446-6 | |||
| 10622156 | 200068 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 3.7 | COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | |||
| CHEMBL59575 | 200068 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 3.7 | COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | |||
| 46881382 | 7324 | 0 | None | -912 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 5.4 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1086156 | 7324 | 0 | None | -912 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 5.4 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1 | 10.1016/j.bmcl.2010.01.030 | |||
| 10651080 | 105942 | 0 | None | -134 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL312871 | 105942 | 0 | None | -134 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 10508132 | 107017 | 0 | None | -19 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL315392 | 107017 | 0 | None | -19 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | |||
| 10674647 | 38976 | 0 | None | -457 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 10 | 2 | 8 | 4.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL146815 | 38976 | 0 | None | -457 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 10 | 2 | 8 | 4.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 10793503 | 119715 | 0 | None | -616 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 588 | 11 | 2 | 8 | 4.5 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL347499 | 119715 | 0 | None | -616 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 588 | 11 | 2 | 8 | 4.5 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 9830741 | 207856 | 1 | None | -616 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| CHEMBL96467 | 207856 | 1 | None | -616 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| 44288469 | 161690 | 0 | None | -3 | 2 | Golden hamster | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL41332 | 161690 | 0 | None | -3 | 2 | Golden hamster | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 9830741 | 207856 | 1 | None | -616 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| CHEMBL96467 | 207856 | 1 | None | -616 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| 9908283 | 198936 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 387 | 4 | 0 | 4 | 3.0 | Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| CHEMBL58476 | 198936 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 387 | 4 | 0 | 4 | 3.0 | Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| 181743 | 178572 | 5 | None | -602 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| CHEMBL467094 | 178572 | 5 | None | -602 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| 115 | 343 | 71 | None | -1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 2092 | 343 | 71 | None | -1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 7109 | 343 | 71 | None | -1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| CHEMBL709 | 343 | 71 | None | -1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| DB00346 | 343 | 71 | None | -1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | |||
| 38 | 958 | 93 | None | -3 | 89 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | |||
| 722 | 958 | 93 | None | -3 | 89 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | |||
| 44289261 | 164912 | 0 | None | -23 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | |||
| CHEMBL42231 | 164912 | 0 | None | -23 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | |||
| 11338016 | 35976 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| CHEMBL144286 | 35976 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| 10478895 | 100227 | 0 | None | -17 | 2 | Golden hamster | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL288530 | 100227 | 0 | None | -17 | 2 | Golden hamster | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 9981635 | 36910 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | |||
| CHEMBL145098 | 36910 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | |||
| CHEMBL2112853 | 36910 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | |||
| 10582624 | 202792 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 393 | 4 | 1 | 7 | 1.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL62206 | 202792 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 393 | 4 | 1 | 7 | 1.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 15254720 | 61301 | 0 | None | -81 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767136 | 61301 | 0 | None | -81 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 9909211 | 94208 | 1 | None | -5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1021/jm960697s | |||
| CHEMBL24981 | 94208 | 1 | None | -5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1021/jm960697s | |||
| 52941004 | 17091 | 0 | None | -6 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 407 | 13 | 1 | 5 | 4.7 | CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254914 | 17091 | 0 | None | -6 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 407 | 13 | 1 | 5 | 4.7 | CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 10839105 | 206819 | 0 | None | -660 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL90421 | 206819 | 0 | None | -660 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| 44431607 | 87484 | 0 | None | -19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233407 | 87484 | 0 | None | -19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44299945 | 101926 | 0 | None | -52 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL301024 | 101926 | 0 | None | -52 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 44295133 | 188728 | 0 | None | -13 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.0 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL50490 | 188728 | 0 | None | -13 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.0 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | |||
| 10602180 | 168981 | 0 | None | -30 | 2 | Golden hamster | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL43909 | 168981 | 0 | None | -30 | 2 | Golden hamster | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 25131198 | 86260 | 0 | None | -204 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL2312537 | 86260 | 0 | None | -204 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.02.056 | |||
| 10480509 | 142331 | 0 | None | -89 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 483 | 2 | 2 | 5 | 4.4 | COc1cc2c(c(Br)c1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | |||
| CHEMBL388564 | 142331 | 0 | None | -89 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 483 | 2 | 2 | 5 | 4.4 | COc1cc2c(c(Br)c1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | |||
| 25181489 | 187357 | 0 | None | -85 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm800461k | |||
| CHEMBL493285 | 187357 | 0 | None | -85 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm800461k | |||
| 25131198 | 86260 | 0 | None | -204 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| CHEMBL2312537 | 86260 | 0 | None | -204 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| 44295170 | 101822 | 0 | None | -19 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL300272 | 101822 | 0 | None | -19 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 10026936 | 163458 | 0 | None | -114 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41994 | 163458 | 0 | None | -114 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44289058 | 165345 | 0 | None | -16 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.5 | CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42361 | 165345 | 0 | None | -16 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.5 | CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 9830741 | 207856 | 1 | None | -616 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| CHEMBL96467 | 207856 | 1 | None | -616 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| 11384983 | 197302 | 0 | None | -95 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56869 | 197302 | 0 | None | -95 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 | 10.1021/jm030944+ | |||
| 10673466 | 161764 | 0 | None | -12 | 2 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL41396 | 161764 | 0 | None | -12 | 2 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10770057 | 102072 | 0 | None | -1023 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 610 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL302092 | 102072 | 0 | None | -1023 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 610 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 11857709 | 85628 | 0 | None | -67 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857709 | 85628 | 0 | None | -67 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228334 | 85628 | 0 | None | -67 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228334 | 85628 | 0 | None | -67 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 135423051 | 77832 | 0 | None | -2 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | |||
| CHEMBL2092926 | 77832 | 0 | None | -2 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | |||
| 10934575 | 204486 | 0 | None | -7 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72441 | 204486 | 0 | None | -7 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10793665 | 106952 | 0 | None | -69 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | |||
| CHEMBL314960 | 106952 | 0 | None | -69 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | |||
| 56946472 | 71511 | 0 | None | -61 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| CHEMBL1946778 | 71511 | 0 | None | -61 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| CHEMBL1962753 | 71511 | 0 | None | -61 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| 44431620 | 87067 | 0 | None | -891 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232609 | 87067 | 0 | None | -891 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL5284242 | 194615 | 0 | None | -223 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 510 | 11 | 0 | 6 | 4.0 | COCCCC(=O)N(C)CCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315342 | 194615 | 0 | None | -223 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 510 | 11 | 0 | 6 | 4.0 | COCCCC(=O)N(C)CCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| 24803641 | 61324 | 0 | None | -251 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 612 | 10 | 0 | 6 | 7.5 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | |||
| CHEMBL1767159 | 61324 | 0 | None | -251 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 612 | 10 | 0 | 6 | 7.5 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | |||
| 24803639 | 61331 | 0 | None | -316 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 622 | 14 | 1 | 7 | 6.8 | O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767166 | 61331 | 0 | None | -316 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 622 | 14 | 1 | 7 | 6.8 | O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| 53328505 | 63394 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796039 | 63394 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 71817710 | 102407 | 0 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419770 | 102407 | 0 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL3039705 | 102407 | 0 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 44568918 | 187356 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | |||
| CHEMBL493284 | 187356 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | |||
| 44123711 | 84823 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL2234448 | 84823 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44123711 | 84823 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL2234448 | 84823 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| 15840661 | 199462 | 0 | None | -125 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 432 | 7 | 1 | 5 | 2.2 | O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL59153 | 199462 | 0 | None | -125 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 432 | 7 | 1 | 5 | 2.2 | O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 44431557 | 146672 | 0 | None | -21 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL392377 | 146672 | 0 | None | -21 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 24839550 | 137315 | 14 | None | -20 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3752576 | 137315 | 14 | None | -20 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 2146 | 3100 | 67 | None | -1 | 9 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| 485 | 3100 | 67 | None | -1 | 9 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| 6041 | 3100 | 67 | None | -1 | 9 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| CHEMBL1215 | 3100 | 67 | None | -1 | 9 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| DB00388 | 3100 | 67 | None | -1 | 9 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| 44431560 | 89164 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236621 | 89164 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| 44431560 | 89164 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL236621 | 89164 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 3823 | 50221 | 42 | None | -51 | 10 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 76973198 | 50221 | 42 | None | -51 | 10 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL157101 | 50221 | 42 | None | -51 | 10 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 44328739 | 207651 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 691 | 16 | 3 | 6 | 7.5 | CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95263 | 207651 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 691 | 16 | 3 | 6 | 7.5 | CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 11984570 | 92804 | 0 | None | -104 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243694 | 92804 | 0 | None | -104 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 11395842 | 100691 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.0 | CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL292399 | 100691 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.0 | CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 46934639 | 16670 | 0 | None | -147 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242541 | 16670 | 0 | None | -147 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 53328508 | 63397 | 0 | None | -9 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 466 | 8 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796042 | 63397 | 0 | None | -9 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 466 | 8 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 53328685 | 63399 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 7 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796044 | 63399 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 7 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 118716723 | 115017 | 0 | None | -10 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342876 | 115017 | 0 | None | -10 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 9816461 | 10719 | 7 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL117094 | 10719 | 7 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL544290 | 10719 | 7 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10314056 | 208150 | 1 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 3.1 | O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL98167 | 208150 | 1 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 3.1 | O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| 67753767 | 123054 | 1 | None | 1 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 5 | 1 | 1 | 5.0 | c1ccc(CCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609351 | 123054 | 1 | None | 1 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 5 | 1 | 1 | 5.0 | c1ccc(CCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2015.07.046 | |||
| 10698570 | 118758 | 0 | None | -257 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL341849 | 118758 | 0 | None | -257 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 11464777 | 101805 | 0 | None | 11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL300152 | 101805 | 0 | None | 11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 9828476 | 206924 | 0 | None | -58 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL91022 | 206924 | 0 | None | -58 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| 10647790 | 101391 | 0 | None | -27 | 2 | Golden hamster | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 4 | 1 | 8 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL297218 | 101391 | 0 | None | -27 | 2 | Golden hamster | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 4 | 1 | 8 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 2337 | 3256 | 77 | None | -1 | 62 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 50 | 3256 | 77 | None | -1 | 62 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 5002 | 3256 | 77 | None | -1 | 62 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| CHEMBL716 | 3256 | 77 | None | -1 | 62 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| DB01224 | 3256 | 77 | None | -1 | 62 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 10743042 | 188152 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 5 | 1 | 8 | 3.1 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O | 10.1021/jm981006q | |||
| CHEMBL49851 | 188152 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 5 | 1 | 8 | 3.1 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O | 10.1021/jm981006q | |||
| 11487449 | 195489 | 0 | None | -4 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 5 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL55319 | 195489 | 0 | None | -4 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 5 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 11761245 | 168171 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 403 | 5 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCn2cnc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL433203 | 168171 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 403 | 5 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCn2cnc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| 10552608 | 100418 | 0 | None | -35 | 2 | Golden hamster | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 477 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL290243 | 100418 | 0 | None | -35 | 2 | Golden hamster | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 477 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 456387 | 100757 | 5 | None | 6 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 2 | 3 | 1 | 5.5 | Brc1ccc2c(-c3nc(-c4c[nH]c5ccccc45)c[nH]3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | |||
| CHEMBL292801 | 100757 | 5 | None | 6 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 2 | 3 | 1 | 5.5 | Brc1ccc2c(-c3nc(-c4c[nH]c5ccccc45)c[nH]3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | |||
| 44300165 | 101851 | 0 | None | -537 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL300540 | 101851 | 0 | None | -537 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 44300166 | 196353 | 0 | None | -15 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL56248 | 196353 | 0 | None | -15 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 44295046 | 101933 | 0 | None | -117 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 577 | 8 | 2 | 9 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL301077 | 101933 | 0 | None | -117 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 577 | 8 | 2 | 9 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 10673657 | 206733 | 0 | None | -1071 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.3 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL89927 | 206733 | 0 | None | -1071 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.3 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| 10627090 | 34561 | 0 | None | -1288 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 581 | 9 | 2 | 7 | 3.8 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL142929 | 34561 | 0 | None | -1288 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 581 | 9 | 2 | 7 | 3.8 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10747201 | 36882 | 0 | None | -1288 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 618 | 10 | 3 | 8 | 2.3 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL145072 | 36882 | 0 | None | -1288 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 618 | 10 | 3 | 8 | 2.3 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 9916549 | 121564 | 0 | None | -446 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL358595 | 121564 | 0 | None | -446 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 44300111 | 100860 | 0 | None | -3235 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL293515 | 100860 | 0 | None | -3235 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10840781 | 36933 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 569 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145122 | 36933 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 569 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 44431587 | 167152 | 0 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL429076 | 167152 | 0 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 46934789 | 16691 | 0 | None | -15 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242819 | 16691 | 0 | None | -15 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 11303180 | 198226 | 0 | None | -34 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57540 | 198226 | 0 | None | -34 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 10199335 | 204747 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL74467 | 204747 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 76326541 | 85341 | 0 | None | -28 | 3 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261355 | 85341 | 0 | None | -28 | 3 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9926529 | 9389 | 2 | None | -44 | 4 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111496 | 9389 | 2 | None | -44 | 4 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 19085820 | 205804 | 0 | None | -1023 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83226 | 205804 | 0 | None | -1023 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 11519153 | 85619 | 0 | None | -12 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11519153 | 85619 | 0 | None | -12 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228278 | 85619 | 0 | None | -12 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228278 | 85619 | 0 | None | -12 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 10793963 | 99672 | 0 | None | -9 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL284470 | 99672 | 0 | None | -9 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 53328506 | 63395 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.4 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796040 | 63395 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.4 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 10409038 | 85242 | 0 | None | -114 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 405 | 2 | 2 | 5 | 3.6 | COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | |||
| CHEMBL225853 | 85242 | 0 | None | -114 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 405 | 2 | 2 | 5 | 3.6 | COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | |||
| 11347303 | 111380 | 0 | None | -60 | 4 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | |||
| CHEMBL327116 | 111380 | 0 | None | -60 | 4 | Golden hamster | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | |||
| 9985476 | 37284 | 0 | None | -912 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145394 | 37284 | 0 | None | -912 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 44330880 | 208151 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.6 | O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL98168 | 208151 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.6 | O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| 6726 | 1280 | 51 | None | -16 | 13 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 7151 | 1280 | 51 | None | -16 | 13 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 749 | 1280 | 51 | None | -16 | 13 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL648 | 1280 | 51 | None | -16 | 13 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB01176 | 1280 | 51 | None | -16 | 13 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 10508016 | 207156 | 0 | None | -3 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | |||
| CHEMBL92322 | 207156 | 0 | None | -3 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | |||
| 46882087 | 5826 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1OC | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1079065 | 5826 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1OC | 10.1016/j.bmcl.2010.01.030 | |||
| 11857639 | 85748 | 1 | None | -977 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL229084 | 85748 | 1 | None | -977 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 10603727 | 37690 | 0 | None | -114 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 3.4 | CCC1=C(C(=O)NC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL145752 | 37690 | 0 | None | -114 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 3.4 | CCC1=C(C(=O)NC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 19085866 | 105417 | 0 | None | -117 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 455 | 6 | 0 | 7 | 2.9 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL311890 | 105417 | 0 | None | -117 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 455 | 6 | 0 | 7 | 2.9 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 44299973 | 197452 | 0 | None | -15 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL56974 | 197452 | 0 | None | -15 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 18001206 | 12786 | 0 | None | 4 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 327 | 5 | 0 | 4 | 3.9 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)noc2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188049 | 12786 | 0 | None | 4 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 327 | 5 | 0 | 4 | 3.9 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)noc2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL534943 | 12786 | 0 | None | 4 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 327 | 5 | 0 | 4 | 3.9 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)noc2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 10095156 | 78543 | 0 | None | -2 | 2 | Golden hamster | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL2112073 | 78543 | 0 | None | -2 | 2 | Golden hamster | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10767959 | 160946 | 0 | None | -8 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL41155 | 160946 | 0 | None | -8 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10554492 | 168567 | 0 | None | -3 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 505 | 5 | 1 | 8 | 3.4 | COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1 | 10.1021/jm990567u | |||
| CHEMBL43573 | 168567 | 0 | None | -3 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 505 | 5 | 1 | 8 | 3.4 | COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1 | 10.1021/jm990567u | |||
| 10950119 | 107335 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 2.4 | CCOc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL317555 | 107335 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 2.4 | CCOc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm0307741 | |||
| 44288359 | 155746 | 0 | None | 1 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 4.0 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL40564 | 155746 | 0 | None | 1 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 4.0 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 10577609 | 26986 | 0 | None | 10 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 8 | 1 | 9 | 3.5 | COc1cc2nc(N3CCN(C(=O)C(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| CHEMBL136458 | 26986 | 0 | None | 10 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 8 | 1 | 9 | 3.5 | COc1cc2nc(N3CCN(C(=O)C(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| 155526629 | 176398 | 0 | None | -29 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4458714 | 176398 | 0 | None | -29 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595984 | 176398 | 0 | None | -29 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 49781887 | 17144 | 0 | None | -32 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| CHEMBL1255617 | 17144 | 0 | None | -32 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| 10721751 | 34630 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL142981 | 34630 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10721171 | 37710 | 0 | None | -467 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 539 | 10 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145770 | 37710 | 0 | None | -467 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 539 | 10 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10767607 | 107129 | 0 | None | -831 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.4 | N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL316100 | 107129 | 0 | None | -831 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.4 | N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 10721751 | 34630 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL142981 | 34630 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 44318081 | 163313 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL418926 | 163313 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| 9865254 | 68675 | 0 | None | -177 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 | 10.1021/jm0491391 | |||
| CHEMBL192099 | 68675 | 0 | None | -177 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 | 10.1021/jm0491391 | |||
| 10026936 | 163458 | 0 | None | -114 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41994 | 163458 | 0 | None | -114 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 11519153 | 85749 | 0 | None | -154 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11519153 | 85749 | 0 | None | -154 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL229085 | 85749 | 0 | None | -154 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL229085 | 85749 | 0 | None | -154 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 44568818 | 187705 | 0 | None | -3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1021/jm800461k | |||
| CHEMBL495289 | 187705 | 0 | None | -3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1021/jm800461k | |||
| 56946579 | 71513 | 0 | None | -40 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946783 | 71513 | 0 | None | -40 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1962755 | 71513 | 0 | None | -40 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | |||
| 118716698 | 114992 | 0 | None | -16 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342852 | 114992 | 0 | None | -16 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 2291 | 3184 | 58 | None | -16 | 12 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 2561 | 3184 | 58 | None | -16 | 12 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 4932 | 3184 | 58 | None | -16 | 12 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| CHEMBL631 | 3184 | 58 | None | -16 | 12 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| DB01182 | 3184 | 58 | None | -16 | 12 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 11857638 | 143810 | 0 | None | -128 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL390129 | 143810 | 0 | None | -128 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 10775000 | 107394 | 2 | None | -38 | 4 | Golden hamster | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL317912 | 107394 | 2 | None | -38 | 4 | Golden hamster | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 44581974 | 175704 | 0 | None | -27 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | |||
| CHEMBL458220 | 175704 | 0 | None | -27 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | |||
| 133 | 2496 | 52 | None | -58 | 42 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 1723 | 2496 | 52 | None | -58 | 42 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 28693 | 2496 | 52 | None | -58 | 42 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| CHEMBL19215 | 2496 | 52 | None | -58 | 42 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| DB13520 | 2496 | 52 | None | -58 | 42 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 44362633 | 121547 | 0 | None | -95 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL358590 | 121547 | 0 | None | -95 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 2105 | 3054 | 37 | None | -147 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 47811 | 3054 | 37 | None | -147 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 48 | 3054 | 37 | None | -147 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| CHEMBL531 | 3054 | 37 | None | -147 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| DB01186 | 3054 | 37 | None | -147 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 9895338 | 94445 | 0 | None | -223 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1 | 10.1021/jm960697s | |||
| CHEMBL25121 | 94445 | 0 | None | -223 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1 | 10.1021/jm960697s | |||
| 118717459 | 115141 | 0 | None | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343981 | 115141 | 0 | None | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 151779 | 194704 | 2 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL533979 | 194704 | 2 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 118716716 | 115010 | 0 | None | -16 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342869 | 115010 | 0 | None | -16 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118717459 | 115141 | 0 | None | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343981 | 115141 | 0 | None | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 151779 | 194704 | 2 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL533979 | 194704 | 2 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 11857638 | 142155 | 0 | None | -5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857638 | 142155 | 0 | None | -5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL388361 | 142155 | 0 | None | -5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL388361 | 142155 | 0 | None | -5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 44362633 | 121547 | 0 | None | -95 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL358590 | 121547 | 0 | None | -95 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 11857864 | 144249 | 0 | None | -34 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL390473 | 144249 | 0 | None | -34 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 44331090 | 208393 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 4.3 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL99614 | 208393 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 4.3 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | |||
| 10674544 | 118791 | 0 | None | -331 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL342111 | 118791 | 0 | None | -331 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 2351 | 3286 | 64 | None | -14 | 21 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 2820 | 3286 | 64 | None | -14 | 21 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 5035 | 3286 | 64 | None | -14 | 21 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| CHEMBL81 | 3286 | 64 | None | -14 | 21 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| DB00481 | 3286 | 64 | None | -14 | 21 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 19085914 | 205825 | 0 | None | -234 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83340 | 205825 | 0 | None | -234 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| 44273916 | 98829 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL278716 | 98829 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 44431180 | 92849 | 0 | None | -75 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 5 | 0 | 5 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243864 | 92849 | 0 | None | -75 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 5 | 0 | 5 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 10626726 | 33944 | 0 | None | -75 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL142398 | 33944 | 0 | None | -75 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10770007 | 34594 | 0 | None | -50 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL142957 | 34594 | 0 | None | -50 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 10699164 | 37028 | 0 | None | -169 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145190 | 37028 | 0 | None | -169 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10946567 | 16469 | 0 | None | -12 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| CHEMBL123448 | 16469 | 0 | None | -12 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| 11097789 | 102998 | 1 | None | -3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL306792 | 102998 | 1 | None | -3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 9982050 | 101934 | 0 | None | -13 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 467 | 6 | 1 | 9 | 2.5 | COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1 | 10.1021/jm981006q | |||
| CHEMBL301078 | 101934 | 0 | None | -13 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 467 | 6 | 1 | 9 | 2.5 | COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1 | 10.1021/jm981006q | |||
| 10478121 | 170802 | 0 | None | -28 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | |||
| CHEMBL445325 | 170802 | 0 | None | -28 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | |||
| 10718348 | 100245 | 0 | None | -22 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL288678 | 100245 | 0 | None | -22 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10048729 | 189143 | 0 | None | -7 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 5 | 1 | 8 | 2.5 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O | 10.1021/jm981006q | |||
| CHEMBL51074 | 189143 | 0 | None | -7 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 5 | 1 | 8 | 2.5 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O | 10.1021/jm981006q | |||
| 44268966 | 33437 | 0 | None | -12 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL14199 | 33437 | 0 | None | -12 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 9822705 | 100688 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 407 | 4 | 0 | 3 | 4.4 | O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | |||
| CHEMBL292366 | 100688 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 407 | 4 | 0 | 3 | 4.4 | O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | |||
| CHEMBL5270515 | 194609 | 0 | None | -39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 3.6 | CCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315265 | 194609 | 0 | None | -39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 3.6 | CCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| 52937631 | 61307 | 0 | None | -79 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.4 | Cc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767141 | 61307 | 0 | None | -79 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.4 | Cc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | |||
| 3894573 | 3393 | 6 | None | -19 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | |||
| 495 | 3393 | 6 | None | -19 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | |||
| CHEMBL88272 | 3393 | 6 | None | -19 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | |||
| 9872851 | 97085 | 3 | None | -79 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 571 | 10 | 1 | 7 | 4.6 | COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O | 10.1021/jm960697s | |||
| CHEMBL267336 | 97085 | 3 | None | -79 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 571 | 10 | 1 | 7 | 4.6 | COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O | 10.1021/jm960697s | |||
| 155532835 | 176454 | 0 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4467585 | 176454 | 0 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4596417 | 176454 | 0 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 16121006 | 11841 | 0 | None | -77 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182182 | 11841 | 0 | None | -77 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL217469 | 11841 | 0 | None | -77 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 52945156 | 17058 | 0 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 4.1 | COc1cccc(OC)c1[S+]([O-])CCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254660 | 17058 | 0 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 4.1 | COc1cccc(OC)c1[S+]([O-])CCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 16121006 | 11841 | 0 | None | -77 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL1182182 | 11841 | 0 | None | -77 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL217469 | 11841 | 0 | None | -77 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 44298611 | 100653 | 0 | None | -398 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 440 | 7 | 1 | 6 | 2.3 | Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL292189 | 100653 | 0 | None | -398 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 440 | 7 | 1 | 6 | 2.3 | Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C | 10.1016/s0960-894x(03)00305-6 | |||
| 44298447 | 100799 | 0 | None | -31 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 430 | 6 | 1 | 6 | 1.7 | Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL293149 | 100799 | 0 | None | -31 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 430 | 6 | 1 | 6 | 1.7 | Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 10813408 | 158353 | 0 | None | -9 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40896 | 158353 | 0 | None | -9 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10394346 | 16963 | 0 | None | -13 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| CHEMBL125365 | 16963 | 0 | None | -13 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| 44431554 | 88343 | 0 | None | -31 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234874 | 88343 | 0 | None | -31 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 13156 | 3447 | 0 | None | -489 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | |||
| 145946376 | 3447 | 0 | None | -489 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4299993 | 3447 | 0 | None | -489 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | |||
| 10675068 | 96450 | 0 | None | -758 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL262217 | 96450 | 0 | None | -758 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10745664 | 122016 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL359433 | 122016 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10578926 | 118966 | 0 | None | -75 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL342347 | 118966 | 0 | None | -75 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10739024 | 69833 | 0 | None | -60 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19376 | 69833 | 0 | None | -60 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 44301573 | 202797 | 0 | None | -154 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 535 | 7 | 1 | 5 | 4.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL62249 | 202797 | 0 | None | -154 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 535 | 7 | 1 | 5 | 4.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 118717458 | 115140 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343980 | 115140 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 11857638 | 143810 | 0 | None | -128 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL390129 | 143810 | 0 | None | -128 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 10674896 | 206644 | 0 | None | -83 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | |||
| CHEMBL89243 | 206644 | 0 | None | -83 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | |||
| 53328687 | 63402 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 483 | 8 | 0 | 5 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796047 | 63402 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 483 | 8 | 0 | 5 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 118717458 | 115140 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343980 | 115140 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 11995034 | 11833 | 0 | None | -16 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182148 | 11833 | 0 | None | -16 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214952 | 11833 | 0 | None | -16 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 44431562 | 89283 | 0 | None | -29 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236832 | 89283 | 0 | None | -29 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | |||
| 118717462 | 115144 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343984 | 115144 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 118716704 | 114997 | 0 | None | -23 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342857 | 114997 | 0 | None | -23 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118717462 | 115144 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343984 | 115144 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 11801861 | 118788 | 0 | None | -190 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 609 | 6 | 2 | 6 | 4.0 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL342064 | 118788 | 0 | None | -190 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 609 | 6 | 2 | 6 | 4.0 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10651706 | 121514 | 0 | None | -25 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 4.5 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| CHEMBL358406 | 121514 | 0 | None | -25 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 4.5 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| 10746433 | 121083 | 0 | None | -295 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 619 | 13 | 3 | 9 | 3.0 | COCCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL357061 | 121083 | 0 | None | -295 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 619 | 13 | 3 | 9 | 3.0 | COCCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 10624993 | 111687 | 0 | None | -630 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 3.9 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL328658 | 111687 | 0 | None | -630 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 3.9 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 52937526 | 61302 | 0 | None | -1584 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 363 | 5 | 0 | 5 | 3.1 | COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767137 | 61302 | 0 | None | -1584 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 363 | 5 | 0 | 5 | 3.1 | COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | |||
| 45358442 | 61323 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 | 10.1021/jm1013874 | |||
| CHEMBL1767158 | 61323 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 | 10.1021/jm1013874 | |||
| 118716708 | 115002 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 441 | 5 | 0 | 7 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342861 | 115002 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 441 | 5 | 0 | 7 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118716710 | 115004 | 0 | None | -13 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342863 | 115004 | 0 | None | -13 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 24865727 | 193113 | 0 | None | -100 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 4.4 | Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | |||
| CHEMBL522708 | 193113 | 0 | None | -100 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 4.4 | Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | |||
| 44298671 | 163176 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 8 | 1 | 7 | 1.8 | COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL418112 | 163176 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 8 | 1 | 7 | 1.8 | COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 44213730 | 195656 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 1.3 | O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL55645 | 195656 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 1.3 | O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 44298734 | 196708 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL56489 | 196708 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 | 10.1016/s0960-894x(03)00305-6 | |||
| 9913554 | 100992 | 0 | None | -1995 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 | 10.1016/s0960-894x(02)00172-5 | |||
| CHEMBL29433 | 100992 | 0 | None | -1995 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 | 10.1016/s0960-894x(02)00172-5 | |||
| 10337773 | 101585 | 0 | None | -39 | 10 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | |||
| CHEMBL298612 | 101585 | 0 | None | -39 | 10 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | |||
| 76330200 | 85340 | 0 | None | -2 | 2 | Golden hamster | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 323 | 3 | 2 | 5 | 1.2 | CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261354 | 85340 | 0 | None | -2 | 2 | Golden hamster | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 323 | 3 | 2 | 5 | 1.2 | CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O | 10.1007/s00044-004-0020-z | |||
| 9884513 | 13027 | 0 | None | 43 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1189871 | 13027 | 0 | None | 43 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL539601 | 13027 | 0 | None | 43 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 10530552 | 33245 | 0 | None | -26 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 3.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL141821 | 33245 | 0 | None | -26 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 3.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10716964 | 100592 | 0 | None | -5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL291769 | 100592 | 0 | None | -5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 52944548 | 17152 | 0 | None | -120 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1255723 | 17152 | 0 | None | -120 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 118716700 | 114993 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342853 | 114993 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 10507220 | 121276 | 0 | None | -316 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | |||
| CHEMBL357842 | 121276 | 0 | None | -316 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | |||
| 10601065 | 112308 | 0 | None | -173 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 488 | 7 | 4 | 4 | 2.8 | O=C1NC=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| CHEMBL329143 | 112308 | 0 | None | -173 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 488 | 7 | 4 | 4 | 2.8 | O=C1NC=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| 9916549 | 121564 | 0 | None | -446 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL358595 | 121564 | 0 | None | -446 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL347501 | 119716 | 0 | None | -436 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 620 | 12 | 3 | 10 | 3.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OCCO)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 10555223 | 37125 | 0 | None | -158 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| CHEMBL145267 | 37125 | 0 | None | -158 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| 44431574 | 87802 | 0 | None | -32 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233814 | 87802 | 0 | None | -32 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431564 | 148359 | 0 | None | -22 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL393725 | 148359 | 0 | None | -22 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10508332 | 105991 | 0 | None | -109 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | |||
| CHEMBL313160 | 105991 | 0 | None | -109 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | |||
| 10818003 | 106421 | 0 | None | -3 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | |||
| CHEMBL313953 | 106421 | 0 | None | -3 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | |||
| 71817859 | 102579 | 0 | None | -9 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL2419772 | 102579 | 0 | None | -9 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL3040801 | 102579 | 0 | None | -9 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| 11825888 | 208256 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 6 | 1 | 7 | 3.5 | COc1ccccc1N1CCN(CCCn2cnc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL98807 | 208256 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 6 | 1 | 7 | 3.5 | COc1ccccc1N1CCN(CCCn2cnc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| 10578990 | 203841 | 0 | None | -1096 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O | 10.1021/jm9905918 | |||
| CHEMBL68565 | 203841 | 0 | None | -1096 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O | 10.1021/jm9905918 | |||
| 9845181 | 208161 | 3 | None | -125 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0491391 | |||
| CHEMBL98241 | 208161 | 3 | None | -125 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0491391 | |||
| 9845181 | 208161 | 3 | None | -125 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL98241 | 208161 | 3 | None | -125 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/s0960-894x(01)00159-7 | |||
| 10626982 | 111495 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL327775 | 111495 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 155565219 | 176565 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4580335 | 176565 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4597359 | 176565 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 56945165 | 71518 | 0 | None | -295 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946787 | 71518 | 0 | None | -295 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1962770 | 71518 | 0 | None | -295 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | |||
| 19085827 | 104863 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL311014 | 104863 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 71521478 | 86191 | 0 | None | -3019 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL2312226 | 86191 | 0 | None | -3019 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 44431599 | 88020 | 0 | None | -15 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234423 | 88020 | 0 | None | -15 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | |||
| 9929936 | 167912 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| CHEMBL431354 | 167912 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| 44431618 | 87066 | 0 | None | -34 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232607 | 87066 | 0 | None | -34 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10859076 | 13682 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1194763 | 13682 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL553276 | 13682 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 71521480 | 86261 | 0 | None | -426 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| CHEMBL2312538 | 86261 | 0 | None | -426 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| 9880162 | 9302 | 0 | None | -3 | 2 | Golden hamster | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL110976 | 9302 | 0 | None | -3 | 2 | Golden hamster | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 10698141 | 33825 | 0 | None | -21 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL142307 | 33825 | 0 | None | -21 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10768829 | 119384 | 0 | None | -56 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL344525 | 119384 | 0 | None | -56 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 9823115 | 198603 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57868 | 198603 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 44420428 | 83494 | 0 | None | -43 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL220221 | 83494 | 0 | None | -43 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 44420428 | 83494 | 0 | None | -43 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL220221 | 83494 | 0 | None | -43 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 44420431 | 84737 | 0 | None | -20 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 5 | 0 | 7 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL222896 | 84737 | 0 | None | -20 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 5 | 0 | 7 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 11994665 | 11834 | 0 | None | -14 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182151 | 11834 | 0 | None | -14 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL215151 | 11834 | 0 | None | -14 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 136806217 | 207699 | 0 | None | -12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328806 | 207699 | 0 | None | -12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95548 | 207699 | 0 | None | -12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10029146 | 205691 | 0 | None | -331 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL82267 | 205691 | 0 | None | -331 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| 456386 | 203003 | 6 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 376 | 2 | 3 | 1 | 5.5 | Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5ccccc45)n3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | |||
| CHEMBL63208 | 203003 | 6 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 376 | 2 | 3 | 1 | 5.5 | Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5ccccc45)n3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | |||
| 9845181 | 208161 | 3 | None | -120 | 13 | Golden hamster | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm020938y | |||
| CHEMBL98241 | 208161 | 3 | None | -120 | 13 | Golden hamster | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm020938y | |||
| 10674333 | 37494 | 0 | None | -239 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 8 | 3 | 6 | 2.9 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145574 | 37494 | 0 | None | -239 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 8 | 3 | 6 | 2.9 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 44288485 | 162520 | 0 | None | -29 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL41677 | 162520 | 0 | None | -29 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | |||
| 10626453 | 122015 | 0 | None | -77 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL359430 | 122015 | 0 | None | -77 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 44288754 | 170516 | 0 | None | -36 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL44496 | 170516 | 0 | None | -36 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44431594 | 88019 | 0 | None | -173 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234422 | 88019 | 0 | None | -173 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44275526 | 98866 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 7.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1 | 10.1021/jm960697s | |||
| CHEMBL27899 | 98866 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 7.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1 | 10.1021/jm960697s | |||
| 52942047 | 16665 | 0 | None | -125 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242444 | 16665 | 0 | None | -125 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 46882088 | 5827 | 0 | None | -22 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1079066 | 5827 | 0 | None | -22 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC | 10.1016/j.bmcl.2010.01.030 | |||
| 10342554 | 104782 | 0 | None | -1445 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 428 | 7 | 0 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL310890 | 104782 | 0 | None | -1445 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 428 | 7 | 0 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 10804826 | 23615 | 2 | None | -18 | 3 | Golden hamster | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | |||
| CHEMBL133451 | 23615 | 2 | None | -18 | 3 | Golden hamster | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | |||
| 44431557 | 89278 | 0 | None | -83 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236830 | 89278 | 0 | None | -83 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44331169 | 167947 | 0 | None | -26 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL431631 | 167947 | 0 | None | -26 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | |||
| 56649648 | 67855 | 0 | None | -537 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| CHEMBL1910139 | 67855 | 0 | None | -537 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| 44328920 | 108641 | 0 | None | -15 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL320736 | 108641 | 0 | None | -15 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44431602 | 144941 | 0 | None | -275 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391035 | 144941 | 0 | None | -275 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 52950140 | 17158 | 0 | None | -165 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1255770 | 17158 | 0 | None | -165 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 145951457 | 162924 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4174168 | 162924 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 11801828 | 206544 | 0 | None | -109 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL88628 | 206544 | 0 | None | -109 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 127036186 | 137414 | 0 | None | -56 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3753318 | 137414 | 0 | None | -56 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 49781005 | 17214 | 0 | None | -58 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256503 | 17214 | 0 | None | -58 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 11984570 | 92804 | 0 | None | -104 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243694 | 92804 | 0 | None | -104 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 10745380 | 38791 | 0 | None | -177 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL146654 | 38791 | 0 | None | -177 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 46934641 | 16678 | 0 | None | -7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242633 | 16678 | 0 | None | -7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 49781887 | 17144 | 0 | None | -32 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| CHEMBL1255617 | 17144 | 0 | None | -32 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| 44361064 | 31615 | 0 | None | 3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | |||
| CHEMBL140450 | 31615 | 0 | None | 3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | |||
| CHEMBL179334 | 63303 | 0 | None | -977 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9902032 | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9902032 | |||
| 44301681 | 202694 | 0 | None | -309 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 481 | 8 | 2 | 4 | 4.6 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL61643 | 202694 | 0 | None | -309 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 481 | 8 | 2 | 4 | 4.6 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 44328654 | 107185 | 0 | None | -47 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL316495 | 107185 | 0 | None | -47 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136806212 | 207732 | 0 | None | -47 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328639 | 207732 | 0 | None | -47 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95736 | 207732 | 0 | None | -47 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 11857793 | 85650 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228445 | 85650 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| 10640982 | 26435 | 0 | None | -2187 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| CHEMBL135974 | 26435 | 0 | None | -2187 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| 2771 | 195017 | 74 | None | -1 | 27 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| CHEMBL1200781 | 195017 | 74 | None | -1 | 27 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| CHEMBL549 | 195017 | 74 | None | -1 | 27 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| 2600 | 3779 | 74 | None | -8 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 2608 | 3779 | 74 | None | -8 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 5405 | 3779 | 74 | None | -8 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| CHEMBL17157 | 3779 | 74 | None | -8 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| DB00342 | 3779 | 74 | None | -8 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 53248361 | 62082 | 0 | None | -120 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 568 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 | 10.1021/jm1009956 | |||
| CHEMBL1774991 | 62082 | 0 | None | -120 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 568 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 | 10.1021/jm1009956 | |||
| 10647424 | 206781 | 0 | None | -741 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.0 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| CHEMBL90210 | 206781 | 0 | None | -741 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.0 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| 10768423 | 101327 | 0 | None | -12 | 2 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL296711 | 101327 | 0 | None | -12 | 2 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 44431612 | 148864 | 0 | None | -123 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL394139 | 148864 | 0 | None | -123 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 36811 | 1454 | 37 | None | -1 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 535 | 1454 | 37 | None | -1 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 937 | 1454 | 37 | None | -1 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| CHEMBL926 | 1454 | 37 | None | -1 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| DB00841 | 1454 | 37 | None | -1 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 11994915 | 11832 | 0 | None | -2 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182145 | 11832 | 0 | None | -2 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214762 | 11832 | 0 | None | -2 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 12134994 | 163307 | 0 | None | -7 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL418882 | 163307 | 0 | None | -7 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 1220 | 187 | 55 | None | -2691 | 44 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | |||
| 31 | 187 | 55 | None | -2691 | 44 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | |||
| 7 | 187 | 55 | None | -2691 | 44 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | |||
| CHEMBL56 | 187 | 55 | None | -2691 | 44 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | |||
| 10721049 | 43722 | 0 | None | -245 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 533 | 9 | 4 | 7 | 2.8 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(O)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| CHEMBL151045 | 43722 | 0 | None | -245 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 533 | 9 | 4 | 7 | 2.8 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(O)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| 237 | 204865 | 48 | None | -2 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL546257 | 204865 | 48 | None | -2 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL554190 | 204865 | 48 | None | -2 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 204865 | 48 | None | -2 | 13 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 10092649 | 193073 | 56 | None | -1 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | |||
| CHEMBL522460 | 193073 | 56 | None | -1 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | |||
| 118717455 | 115135 | 0 | None | 7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343976 | 115135 | 0 | None | 7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 1212 | 1662 | 50 | None | -24 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 1662 | 50 | None | -24 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 1662 | 50 | None | -24 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 1662 | 50 | None | -24 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 1662 | 50 | None | -24 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 10393665 | 33922 | 0 | None | -47 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL142383 | 33922 | 0 | None | -47 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 44340850 | 9902 | 0 | None | -22 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 483 | 7 | 1 | 4 | 4.4 | O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| CHEMBL114345 | 9902 | 0 | None | -22 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 483 | 7 | 1 | 4 | 4.4 | O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| 90645604 | 112437 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298022 | 112437 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 118717455 | 115135 | 0 | None | 7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343976 | 115135 | 0 | None | 7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 11994797 | 12314 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| CHEMBL1185017 | 12314 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| CHEMBL383938 | 12314 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| 52937830 | 61319 | 0 | None | -63 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767154 | 61319 | 0 | None | -63 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 4151 | 3607 | 89 | None | -117 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| 493 | 3607 | 89 | None | -117 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| 5312125 | 3607 | 89 | None | -117 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| CHEMBL24778 | 3607 | 89 | None | -117 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| DB06207 | 3607 | 89 | None | -117 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| 126225 | 94976 | 5 | None | -9 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm960697s | |||
| CHEMBL25467 | 94976 | 5 | None | -9 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm960697s | |||
| 4418 | 34222 | 85 | None | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | |||
| CHEMBL142635 | 34222 | 85 | None | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | |||
| 46882034 | 5801 | 0 | None | -11 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 10 | 1 | 5 | 4.8 | CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1078773 | 5801 | 0 | None | -11 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 10 | 1 | 5 | 4.8 | CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 52941624 | 17092 | 0 | None | -7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 393 | 12 | 1 | 5 | 4.3 | COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254915 | 17092 | 0 | None | -7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 393 | 12 | 1 | 5 | 4.3 | COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 9959671 | 32671 | 0 | None | -363 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL141322 | 32671 | 0 | None | -363 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 9985476 | 37284 | 0 | None | -912 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145394 | 37284 | 0 | None | -912 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 134137025 | 142738 | 0 | None | -38 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3892434 | 142738 | 0 | None | -38 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| 56668277 | 63180 | 0 | None | -1905 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL1789975 | 63180 | 0 | None | -1905 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 9984150 | 101769 | 0 | None | -1122 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL299914 | 101769 | 0 | None | -1122 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 44289026 | 166386 | 0 | None | -87 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 533 | 8 | 1 | 3 | 6.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42763 | 166386 | 0 | None | -87 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 533 | 8 | 1 | 3 | 6.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10382537 | 204166 | 12 | None | -281 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL70676 | 204166 | 12 | None | -281 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 71817857 | 92125 | 0 | None | -4 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419766 | 92125 | 0 | None | -4 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 44420418 | 83430 | 0 | None | -61 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 474 | 4 | 1 | 6 | 4.0 | O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL219718 | 83430 | 0 | None | -61 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 474 | 4 | 1 | 6 | 4.0 | O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | |||
| 10694274 | 199022 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 3.7 | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | |||
| CHEMBL58585 | 199022 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 3.7 | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| 9845181 | 208161 | 3 | None | -125 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0307741 | |||
| CHEMBL98241 | 208161 | 3 | None | -125 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0307741 | |||
| 44329027 | 4168 | 0 | None | -9 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL100045 | 4168 | 0 | None | -9 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44431617 | 144901 | 0 | None | -34 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391016 | 144901 | 0 | None | -34 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431599 | 88064 | 0 | None | -128 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234609 | 88064 | 0 | None | -128 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | |||
| 9822477 | 199452 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| CHEMBL59149 | 199452 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| 53328686 | 63400 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 469 | 7 | 0 | 5 | 4.0 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796045 | 63400 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 469 | 7 | 0 | 5 | 4.0 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 24894141 | 187409 | 0 | None | -31 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL493697 | 187409 | 0 | None | -31 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 134149777 | 148511 | 0 | None | -208 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 7 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1CSC2(CCCCC2)S1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3938383 | 148511 | 0 | None | -208 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 7 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1CSC2(CCCCC2)S1 | 10.1016/j.ejmech.2016.09.050 | |||
| 10698974 | 91122 | 0 | None | -102 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 610 | 5 | 1 | 7 | 4.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL239806 | 91122 | 0 | None | -102 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 610 | 5 | 1 | 7 | 4.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 12576 | 514 | 94 | None | -2884 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | |||
| 71310 | 514 | 94 | None | -2884 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | |||
| CHEMBL353972 | 514 | 94 | None | -2884 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | |||
| DB11481 | 514 | 94 | None | -2884 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | |||
| 44431555 | 89162 | 0 | None | -57 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236617 | 89162 | 0 | None | -57 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10320782 | 99977 | 0 | None | -23 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL286565 | 99977 | 0 | None | -23 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 19085921 | 104909 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 513 | 7 | 0 | 9 | 2.6 | COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL311290 | 104909 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 513 | 7 | 0 | 9 | 2.6 | COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 203096 | 61299 | 3 | None | -794 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 5 | 0 | 4 | 3.2 | CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767134 | 61299 | 3 | None | -794 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 5 | 0 | 4 | 3.2 | CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 52937828 | 61317 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 5 | 0 | 4 | 3.3 | CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767152 | 61317 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 5 | 0 | 4 | 3.3 | CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 9827938 | 11771 | 0 | None | -7 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | |||
| CHEMBL1181680 | 11771 | 0 | None | -7 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | |||
| CHEMBL188486 | 11771 | 0 | None | -7 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | |||
| 10089254 | 99981 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 7 | 1 | 3 | 3.5 | O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 | 10.1021/jm960697s | |||
| CHEMBL286591 | 99981 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 7 | 1 | 3 | 3.5 | O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 | 10.1021/jm960697s | |||
| 24865725 | 188084 | 0 | None | -398 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 4.2 | Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | |||
| CHEMBL497963 | 188084 | 0 | None | -398 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 4.2 | Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | |||
| 44298762 | 100629 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 8 | 1 | 7 | 1.9 | CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL291951 | 100629 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 8 | 1 | 7 | 1.9 | CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 11057 | 176149 | 23 | None | -3 | 20 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 3468 | 176149 | 23 | None | -3 | 20 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL459265 | 176149 | 23 | None | -3 | 20 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL64894 | 176149 | 23 | None | -3 | 20 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 9879119 | 9446 | 0 | None | -89 | 4 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111771 | 9446 | 0 | None | -89 | 4 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 127036953 | 137515 | 0 | None | -199 | 22 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3754166 | 137515 | 0 | None | -199 | 22 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 10835110 | 114588 | 0 | None | -501 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 5 | 0 | 3 | 4.3 | CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm991151j | |||
| CHEMBL333784 | 114588 | 0 | None | -501 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 5 | 0 | 3 | 4.3 | CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm991151j | |||
| 6918648 | 101559 | 1 | None | -3235 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1021/jm980532e | |||
| CHEMBL29846 | 101559 | 1 | None | -3235 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1021/jm980532e | |||
| 276 | 3513 | 50 | None | -1348 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.1021/jm980532e | |||
| 5312149 | 3513 | 50 | None | -1348 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.1021/jm980532e | |||
| CHEMBL431298 | 3513 | 50 | None | -1348 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.1021/jm980532e | |||
| 9879119 | 9446 | 0 | None | -89 | 4 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111771 | 9446 | 0 | None | -89 | 4 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 11449200 | 78461 | 0 | None | -21 | 2 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL2111710 | 78461 | 0 | None | -21 | 2 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 276 | 3513 | 50 | None | -1348 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.1016/s0960-894x(02)00172-5 | |||
| 5312149 | 3513 | 50 | None | -1348 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.1016/s0960-894x(02)00172-5 | |||
| CHEMBL431298 | 3513 | 50 | None | -1348 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.1016/s0960-894x(02)00172-5 | |||
| 9892409 | 100950 | 0 | None | -398 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 505 | 5 | 1 | 6 | 5.3 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1 | 10.1016/s0960-894x(02)00172-5 | |||
| CHEMBL29410 | 100950 | 0 | None | -398 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 505 | 5 | 1 | 6 | 5.3 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1 | 10.1016/s0960-894x(02)00172-5 | |||
| 6918648 | 101559 | 1 | None | -3235 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1016/s0960-894x(02)00172-5 | |||
| CHEMBL29846 | 101559 | 1 | None | -3235 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1016/s0960-894x(02)00172-5 | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| 506 | 2252 | 39 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 6603904 | 2252 | 39 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| CHEMBL19476 | 2252 | 39 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| 52946023 | 17914 | 0 | None | -2 | 5 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 477 | 7 | 2 | 4 | 3.6 | CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | |||
| CHEMBL1259187 | 17914 | 0 | None | -2 | 5 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 477 | 7 | 2 | 4 | 3.6 | CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | |||
| 10916771 | 105214 | 0 | None | -9 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL311479 | 105214 | 0 | None | -9 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 11081136 | 205226 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 467 | 8 | 1 | 7 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL78676 | 205226 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 467 | 8 | 1 | 7 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 50905585 | 56351 | 0 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 12 | 2 | 6 | 3.5 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630939 | 56351 | 0 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 12 | 2 | 6 | 3.5 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 9929458 | 123062 | 0 | None | 61 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CCN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609359 | 123062 | 0 | None | 61 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CCN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 | 10.1016/j.bmcl.2015.07.046 | |||
| 10644505 | 100764 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL292881 | 100764 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 71462043 | 84568 | 0 | None | -4 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153555 | 84568 | 0 | None | -4 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220895 | 84568 | 0 | None | -4 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 10765077 | 100262 | 0 | None | -2 | 2 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 430 | 4 | 2 | 5 | 2.8 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL288809 | 100262 | 0 | None | -2 | 2 | Golden hamster | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 430 | 4 | 2 | 5 | 2.8 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 10740866 | 102095 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL302203 | 102095 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10624165 | 100562 | 0 | None | -5 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL291528 | 100562 | 0 | None | -5 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10834793 | 84579 | 0 | None | -4 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153557 | 84579 | 0 | None | -4 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220925 | 84579 | 0 | None | -4 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | |||
| 11619713 | 72817 | 0 | None | -2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] | 10.1021/jm0580398 | |||
| CHEMBL200136 | 72817 | 0 | None | -2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] | 10.1021/jm0580398 | |||
| 15054191 | 197751 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 423 | 4 | 2 | 5 | 2.6 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0307741 | |||
| CHEMBL57163 | 197751 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 423 | 4 | 2 | 5 | 2.6 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0307741 | |||
| 10742076 | 100318 | 0 | None | -3 | 2 | Golden hamster | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL289361 | 100318 | 0 | None | -3 | 2 | Golden hamster | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 10643502 | 100949 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 1.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL294098 | 100949 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 1.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 100 | 3805 | 58 | None | -2 | 55 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 3805 | 58 | None | -2 | 55 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 3805 | 58 | None | -2 | 55 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 3805 | 58 | None | -2 | 55 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 3805 | 58 | None | -2 | 55 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 10095156 | 78543 | 0 | None | -2 | 2 | Golden hamster | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL2112073 | 78543 | 0 | None | -2 | 2 | Golden hamster | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 90645596 | 112488 | 0 | None | -7 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 640 | 11 | 3 | 9 | 3.8 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298749 | 112488 | 0 | None | -7 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 640 | 11 | 3 | 9 | 3.8 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10844296 | 201415 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL60471 | 201415 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10549596 | 84605 | 1 | None | -10 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153553 | 84605 | 1 | None | -10 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2221147 | 84605 | 1 | None | -10 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 115 | 343 | 71 | None | -1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 2092 | 343 | 71 | None | -1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 7109 | 343 | 71 | None | -1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| CHEMBL709 | 343 | 71 | None | -1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| DB00346 | 343 | 71 | None | -1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 11133288 | 166033 | 0 | None | -7 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | |||
| CHEMBL42558 | 166033 | 0 | None | -7 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | |||
| 73453 | 29616 | 24 | None | -4 | 17 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| CHEMBL1385840 | 29616 | 24 | None | -4 | 17 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| 10093481 | 208410 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 418 | 5 | 2 | 5 | 3.1 | COc1ccccc1C1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL99761 | 208410 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 418 | 5 | 2 | 5 | 3.1 | COc1ccccc1C1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm0307741 | |||
| 11465618 | 102398 | 23 | None | -10 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL3039528 | 102398 | 23 | None | -10 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5191141 | 102398 | 23 | None | -10 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | |||
| 10649481 | 206818 | 0 | None | -123 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL90420 | 206818 | 0 | None | -123 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | |||
| 19085926 | 205543 | 0 | None | -199 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL81006 | 205543 | 0 | None | -199 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| 10508330 | 118794 | 0 | None | -99 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 638 | 8 | 2 | 5 | 5.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL342126 | 118794 | 0 | None | -99 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 638 | 8 | 2 | 5 | 5.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 11372228 | 101667 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | |||
| CHEMBL299253 | 101667 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | |||
| 11123606 | 205435 | 0 | None | -13 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80260 | 205435 | 0 | None | -13 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 10962489 | 11190 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| CHEMBL1178679 | 11190 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| CHEMBL37212 | 11190 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| 10971791 | 208318 | 0 | None | -51 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL99142 | 208318 | 0 | None | -51 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 10971791 | 208318 | 0 | None | -51 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL99142 | 208318 | 0 | None | -51 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| 44431616 | 88077 | 0 | None | -51 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234650 | 88077 | 0 | None | -51 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10603030 | 207463 | 0 | None | -47 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 565 | 7 | 3 | 4 | 4.5 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL94259 | 207463 | 0 | None | -47 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 565 | 7 | 3 | 4 | 4.5 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 156016907 | 177693 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 382 | 7 | 1 | 7 | 2.8 | COc1ccc(-c2nc3ccccn3c2NCCN2CCOCC2)c(OC)c1 | 10.1021/acs.jmedchem.9b01956 | |||
| CHEMBL4641964 | 177693 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 382 | 7 | 1 | 7 | 2.8 | COc1ccc(-c2nc3ccccn3c2NCCN2CCOCC2)c(OC)c1 | 10.1021/acs.jmedchem.9b01956 | |||
| 44288794 | 162076 | 0 | None | -39 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 429 | 8 | 1 | 3 | 5.0 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL416073 | 162076 | 0 | None | -39 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 429 | 8 | 1 | 3 | 5.0 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 124087 | 1389 | 114 | None | -39 | 15 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 7157 | 1389 | 114 | None | -39 | 15 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 814 | 1389 | 114 | None | -39 | 15 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| CHEMBL1172 | 1389 | 114 | None | -39 | 15 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| DB00967 | 1389 | 114 | None | -39 | 15 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 44431548 | 87046 | 0 | None | -79 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232592 | 87046 | 0 | None | -79 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10841190 | 107042 | 0 | None | -28 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | |||
| CHEMBL315538 | 107042 | 0 | None | -28 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | |||
| 124 | 2981 | 47 | None | -53 | 33 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| 2032 | 2981 | 47 | None | -53 | 33 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| 4636 | 2981 | 47 | None | -53 | 33 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| CHEMBL762 | 2981 | 47 | None | -53 | 33 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| DB00935 | 2981 | 47 | None | -53 | 33 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| 1960 | 2857 | 67 | None | -199 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | |||
| 439260 | 2857 | 67 | None | -199 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | |||
| 505 | 2857 | 67 | None | -199 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | |||
| CHEMBL1437 | 2857 | 67 | None | -199 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | |||
| DB00368 | 2857 | 67 | None | -199 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | |||
| 11034737 | 204528 | 0 | None | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72724 | 204528 | 0 | None | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 11102302 | 107336 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 4.7 | Cc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccc(C(C)(C)C)cc2)CC1 | 10.1021/jm0307741 | |||
| CHEMBL317556 | 107336 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 4.7 | Cc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccc(C(C)(C)C)cc2)CC1 | 10.1021/jm0307741 | |||
| 9796525 | 9407 | 0 | None | -5 | 2 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1021/jm030551a | |||
| CHEMBL111584 | 9407 | 0 | None | -5 | 2 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1021/jm030551a | |||
| 16041451 | 97808 | 0 | None | -12 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL271913 | 97808 | 0 | None | -12 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 53328684 | 63398 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 480 | 9 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796043 | 63398 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 480 | 9 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 4038180 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | |||
| 480 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | |||
| CHEMBL109783 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | |||
| 213041 | 17133 | 28 | None | -309 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | |||
| CHEMBL1255582 | 17133 | 28 | None | -309 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | |||
| 135398745 | 2914 | 112 | None | -11 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 47 | 2914 | 112 | None | -11 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| CHEMBL715 | 2914 | 112 | None | -11 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| DB00334 | 2914 | 112 | None | -11 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 2286 | 3183 | 51 | None | -4 | 30 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 3183 | 51 | None | -4 | 30 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 3183 | 51 | None | -4 | 30 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 3183 | 51 | None | -4 | 30 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 3183 | 51 | None | -4 | 30 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 10599007 | 204515 | 0 | None | -60 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL72657 | 204515 | 0 | None | -60 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 71817547 | 102578 | 0 | None | -10 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL2419771 | 102578 | 0 | None | -10 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL3040800 | 102578 | 0 | None | -10 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| 25181488 | 187382 | 0 | None | -54 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL493486 | 187382 | 0 | None | -54 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 9830292 | 168189 | 0 | None | -562 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL433284 | 168189 | 0 | None | -562 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 44294957 | 191044 | 0 | None | -346 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 556 | 7 | 2 | 8 | 2.7 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL51871 | 191044 | 0 | None | -346 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 556 | 7 | 2 | 8 | 2.7 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | |||
| 11338630 | 9657 | 0 | None | 3 | 2 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 2 | 3 | 4.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)c1ccc2ccccc2c1 | 10.1021/jm030551a | |||
| CHEMBL112814 | 9657 | 0 | None | 3 | 2 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 2 | 3 | 4.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)c1ccc2ccccc2c1 | 10.1021/jm030551a | |||
| 10923927 | 204178 | 0 | None | -3 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | |||
| CHEMBL70740 | 204178 | 0 | None | -3 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | |||
| 16041090 | 95393 | 0 | None | -5 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256853 | 95393 | 0 | None | -5 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | |||
| 9893246 | 121492 | 0 | None | -34 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 4.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| CHEMBL358253 | 121492 | 0 | None | -34 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 4.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| 11857792 | 169369 | 0 | None | -134 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL442059 | 169369 | 0 | None | -134 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 44431546 | 88141 | 0 | None | -34 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234679 | 88141 | 0 | None | -34 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431564 | 87642 | 0 | None | -245 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233623 | 87642 | 0 | None | -245 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 11784634 | 36514 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 468 | 10 | 2 | 8 | 3.7 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | |||
| CHEMBL144779 | 36514 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 468 | 10 | 2 | 8 | 3.7 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | |||
| 134133829 | 143825 | 0 | None | -97 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 337 | 7 | 1 | 5 | 3.5 | COc1ccccc1OCCNCC1CSC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3901382 | 143825 | 0 | None | -97 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 337 | 7 | 1 | 5 | 3.5 | COc1ccccc1OCCNCC1CSC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| 44294569 | 102019 | 0 | None | -23 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 447 | 7 | 1 | 8 | 2.5 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 | 10.1021/jm981006q | |||
| CHEMBL301726 | 102019 | 0 | None | -23 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 447 | 7 | 1 | 8 | 2.5 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 | 10.1021/jm981006q | |||
| 44222842 | 195092 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL549764 | 195092 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| 44431194 | 92560 | 0 | None | -56 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243229 | 92560 | 0 | None | -56 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 155532148 | 171701 | 0 | None | -13 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4466677 | 171701 | 0 | None | -13 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 42 | 2063 | 57 | None | -38 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | |||
| 56971 | 2063 | 57 | None | -38 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL8412 | 2063 | 57 | None | -38 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | |||
| 2142 | 3096 | 58 | None | -14 | 36 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| 4920903 | 3096 | 58 | None | -14 | 36 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| 502 | 3096 | 58 | None | -14 | 36 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| 5775 | 3096 | 58 | None | -14 | 36 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| CHEMBL597 | 3096 | 58 | None | -14 | 36 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| DB00692 | 3096 | 58 | None | -14 | 36 | Golden hamster | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| 10371061 | 36701 | 0 | None | -1380 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL144925 | 36701 | 0 | None | -1380 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10556164 | 121696 | 0 | None | -549 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 572 | 8 | 3 | 6 | 3.1 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL358795 | 121696 | 0 | None | -549 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 572 | 8 | 3 | 6 | 3.1 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | |||
| 44312563 | 204920 | 2 | None | -181 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | |||
| CHEMBL76168 | 204920 | 2 | None | -181 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | |||
| 12840735 | 197996 | 0 | None | -199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57364 | 197996 | 0 | None | -199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm030944+ | |||
| 44462130 | 205332 | 0 | None | -50 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL79532 | 205332 | 0 | None | -50 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00451-x | |||
| 44460423 | 205616 | 0 | None | -144 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | O=C1CCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL81661 | 205616 | 0 | None | -144 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | O=C1CCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| 9847419 | 208194 | 0 | None | -27 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 3.9 | Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL98430 | 208194 | 0 | None | -27 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 3.9 | Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | |||
| 44431553 | 87584 | 0 | None | -158 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233592 | 87584 | 0 | None | -158 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 16040907 | 97883 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL272340 | 97883 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10531766 | 206997 | 0 | None | -199 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL91415 | 206997 | 0 | None | -199 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 46934645 | 16687 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242725 | 16687 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 137640201 | 156961 | 2 | None | -177 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4072818 | 156961 | 2 | None | -177 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 53328116 | 63384 | 0 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.4 | O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796029 | 63384 | 0 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.4 | O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 73213196 | 104460 | 4 | None | -21 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104093 | 104460 | 4 | None | -21 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 73213196 | 104460 | 4 | None | -21 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104093 | 104460 | 4 | None | -21 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 44267884 | 15567 | 0 | None | -58 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 403 | 8 | 0 | 6 | 2.2 | CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12202 | 15567 | 0 | None | -58 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 403 | 8 | 0 | 6 | 2.2 | CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 136 | 3292 | 32 | None | -29 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 223 | 3292 | 32 | None | -29 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 643606 | 3292 | 32 | None | -29 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| CHEMBL10347 | 3292 | 32 | None | -29 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 11090351 | 163391 | 0 | None | -8 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL419448 | 163391 | 0 | None | -8 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 155557696 | 176439 | 0 | None | -501 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4558985 | 176439 | 0 | None | -501 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4596295 | 176439 | 0 | None | -501 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4534980 | 213987 | 20 | None | -2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CN(C)[C@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 | 10.6019/CHEMBL5212743 | |||||
| 10531157 | 37802 | 0 | None | -2290 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145843 | 37802 | 0 | None | -2290 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 126225 | 94976 | 5 | None | -9 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm0307741 | |||
| CHEMBL25467 | 94976 | 5 | None | -9 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm0307741 | |||
| 126225 | 94976 | 5 | None | -9 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| CHEMBL25467 | 94976 | 5 | None | -9 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| 44289344 | 168546 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 4.8 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL435576 | 168546 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 4.8 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10530732 | 168051 | 0 | None | -2 | 2 | Golden hamster | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL43234 | 168051 | 0 | None | -2 | 2 | Golden hamster | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 53327748 | 63388 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796033 | 63388 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 3191 | 102858 | 97 | None | -7 | 25 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 102858 | 97 | None | -7 | 25 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 101333429 | 117076 | 0 | None | -588 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | |||
| CHEMBL3392247 | 117076 | 0 | None | -588 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | |||
| 53328873 | 63404 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796049 | 63404 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 10529370 | 206939 | 0 | None | -524 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL91125 | 206939 | 0 | None | -524 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 10032383 | 110110 | 0 | None | -323 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136680387 | 110110 | 0 | None | -323 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL323579 | 110110 | 0 | None | -323 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44431548 | 87051 | 0 | None | -234 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232593 | 87051 | 0 | None | -234 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11140345 | 204171 | 0 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70692 | 204171 | 0 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10603951 | 206516 | 0 | None | -11 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL88448 | 206516 | 0 | None | -11 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 46881493 | 6988 | 0 | None | -28 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.3 | Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1084658 | 6988 | 0 | None | -28 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.3 | Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 118716722 | 115016 | 0 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.5 | CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342875 | 115016 | 0 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.5 | CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2 | 10.1016/j.ejmech.2014.09.070 | |||
| 9913449 | 106452 | 1 | None | -13 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL313990 | 106452 | 1 | None | -13 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 10415038 | 4439 | 0 | None | -9 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101610 | 4439 | 0 | None | -9 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| 44331136 | 109681 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.8 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL322688 | 109681 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.8 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 | 10.1016/s0960-894x(98)00732-x | |||
| 10719222 | 207447 | 0 | None | -141 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| CHEMBL94167 | 207447 | 0 | None | -141 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| 10437624 | 121271 | 0 | None | -398 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 553 | 10 | 1 | 7 | 4.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL357828 | 121271 | 0 | None | -398 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 553 | 10 | 1 | 7 | 4.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 44431611 | 87581 | 0 | None | -81 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233582 | 87581 | 0 | None | -81 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10698608 | 43327 | 0 | None | -53 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 588 | 10 | 3 | 7 | 2.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)N(C)C)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| CHEMBL150696 | 43327 | 0 | None | -53 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 588 | 10 | 3 | 7 | 2.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)N(C)C)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| 9895326 | 207027 | 0 | None | -229 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | |||
| CHEMBL91550 | 207027 | 0 | None | -229 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | |||
| 53328507 | 63396 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796041 | 63396 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 56945167 | 71515 | 0 | None | -309 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946788 | 71515 | 0 | None | -309 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1962757 | 71515 | 0 | None | -309 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | |||
| 11729700 | 112553 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 3.6 | CCc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0307741 | |||
| CHEMBL329971 | 112553 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 3.6 | CCc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0307741 | |||
| 10739024 | 69833 | 0 | None | 10 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19376 | 69833 | 0 | None | 10 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2013.05.027 | |||
| 38 | 958 | 93 | None | -3 | 89 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2013.05.027 | |||
| 722 | 958 | 93 | None | -3 | 89 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2013.05.027 | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2013.05.027 | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2013.05.027 | |||
| 10721564 | 207350 | 0 | None | -33 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | |||
| CHEMBL93623 | 207350 | 0 | None | -33 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | |||
| 10627155 | 37219 | 0 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 8 | 2 | 8 | 3.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145338 | 37219 | 0 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 8 | 2 | 8 | 3.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 53248365 | 62086 | 0 | None | -26 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 2.9 | O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I | 10.1021/jm1009956 | |||
| CHEMBL1774995 | 62086 | 0 | None | -26 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 2.9 | O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I | 10.1021/jm1009956 | |||
| 1443 | 2028 | 34 | None | -5 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 33625 | 2028 | 34 | None | -5 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 501 | 2028 | 34 | None | -5 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| CHEMBL279516 | 2028 | 34 | None | -5 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| DB08950 | 2028 | 34 | None | -5 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 487 | 3634 | 21 | None | -154 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| 60602 | 3634 | 21 | None | -154 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| CHEMBL405355 | 3634 | 21 | None | -154 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| DB09239 | 3634 | 21 | None | -154 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| 463 | 1405 | 22 | None | -25 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 6918097 | 1405 | 22 | None | -25 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 837 | 1405 | 22 | None | -25 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| CHEMBL2051956 | 1405 | 22 | None | -25 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| DB14068 | 1405 | 22 | None | -25 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 14468881 | 176283 | 0 | None | -20 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4462600 | 176283 | 0 | None | -20 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595111 | 176283 | 0 | None | -20 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 145949210 | 162749 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4171491 | 162749 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 499 | 4077 | 18 | None | -28 | 14 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| 5685 | 4077 | 18 | None | -28 | 14 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| CHEMBL25554 | 4077 | 18 | None | -28 | 14 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| 10031709 | 37311 | 0 | None | -2511 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 613 | 10 | 0 | 5 | 8.1 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145411 | 37311 | 0 | None | -2511 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 613 | 10 | 0 | 5 | 8.1 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 17753379 | 88063 | 0 | None | -66 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234607 | 88063 | 0 | None | -66 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 9959689 | 101813 | 0 | None | -416 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL300222 | 101813 | 0 | None | -416 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 10626610 | 36752 | 0 | None | -251 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL144965 | 36752 | 0 | None | -251 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10099811 | 121023 | 4 | None | -676 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL356584 | 121023 | 4 | None | -676 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10507500 | 121694 | 0 | None | -1258 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 582 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL358785 | 121694 | 0 | None | -1258 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 582 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 46881468 | 6859 | 0 | None | 10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 245 | 3 | 1 | 3 | 1.9 | c1ccc(N2CCN(CC3CCCCN3)C2)cc1 | 10.1016/j.bmcl.2010.01.090 | |||
| CHEMBL1084132 | 6859 | 0 | None | 10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 245 | 3 | 1 | 3 | 1.9 | c1ccc(N2CCN(CC3CCCCN3)C2)cc1 | 10.1016/j.bmcl.2010.01.090 | |||
| 44298780 | 196548 | 0 | None | -50 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL56375 | 196548 | 0 | None | -50 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O | 10.1016/s0960-894x(03)00305-6 | |||
| 9944409 | 7613 | 0 | None | -69 | 4 | Golden hamster | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL108804 | 7613 | 0 | None | -69 | 4 | Golden hamster | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 10249573 | 207593 | 0 | None | -251 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 386 | 5 | 0 | 3 | 4.1 | CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | |||
| CHEMBL94984 | 207593 | 0 | None | -251 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 386 | 5 | 0 | 3 | 4.1 | CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | |||
| 6918647 | 100746 | 2 | None | -501 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 439 | 5 | 1 | 5 | 3.0 | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 | 10.1021/jm980532e | |||
| CHEMBL292759 | 100746 | 2 | None | -501 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 439 | 5 | 1 | 5 | 3.0 | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 | 10.1021/jm980532e | |||
| 9944409 | 7613 | 0 | None | -69 | 4 | Golden hamster | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL108804 | 7613 | 0 | None | -69 | 4 | Golden hamster | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 1548953 | 207679 | 27 | None | -11 | 17 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| CHEMBL954 | 207679 | 27 | None | -11 | 17 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| 136680385 | 207650 | 0 | None | -85 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328824 | 207650 | 0 | None | -85 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95253 | 207650 | 0 | None | -85 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 11211017 | 198234 | 0 | None | -18 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm0491391 | |||
| CHEMBL57546 | 198234 | 0 | None | -18 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm0491391 | |||
| 10674055 | 204216 | 0 | None | -1288 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.9 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL70892 | 204216 | 0 | None | -1288 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.9 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 44308654 | 203584 | 0 | None | -19 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL66823 | 203584 | 0 | None | -19 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 11049096 | 11196 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| CHEMBL1178700 | 11196 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| CHEMBL37962 | 11196 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| 44431590 | 87980 | 0 | None | -134 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234232 | 87980 | 0 | None | -134 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11732516 | 205210 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(c2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL78584 | 205210 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(c2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 18738386 | 204038 | 0 | None | -1288 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 413 | 7 | 0 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL69848 | 204038 | 0 | None | -1288 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 413 | 7 | 0 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 16041629 | 95446 | 0 | None | -14 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257097 | 95446 | 0 | None | -14 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10767606 | 207451 | 0 | None | -371 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL94188 | 207451 | 0 | None | -371 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 44358574 | 119369 | 0 | None | -114 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.0 | COc1cccc2c1CCCC2CCCNCCOc1ccccn1 | 10.1021/jm010866v | |||
| CHEMBL344432 | 119369 | 0 | None | -114 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.0 | COc1cccc2c1CCCC2CCCNCCOc1ccccn1 | 10.1021/jm010866v | |||
| 9887458 | 195673 | 0 | None | 5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL55654 | 195673 | 0 | None | 5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 73346042 | 91834 | 5 | None | -269 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | |||
| CHEMBL2413153 | 91834 | 5 | None | -269 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | |||
| 10839389 | 100354 | 0 | None | -4 | 2 | Golden hamster | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL289627 | 100354 | 0 | None | -4 | 2 | Golden hamster | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10917023 | 107218 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 3.8 | COc1ccccc1N1CCN(CCCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL316677 | 107218 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 3.8 | COc1ccccc1N1CCN(CCCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| 10099811 | 121023 | 4 | None | -676 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 10099811 | 121023 | 4 | None | -676 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL356584 | 121023 | 4 | None | -676 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL356584 | 121023 | 4 | None | -676 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 11624518 | 200343 | 3 | None | -20 | 6 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 352 | 4 | 0 | 4 | 3.8 | Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| CHEMBL597601 | 200343 | 3 | None | -20 | 6 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 352 | 4 | 0 | 4 | 3.8 | Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| 11857794 | 85659 | 0 | None | -44 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228496 | 85659 | 0 | None | -44 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | |||
| 196129 | 67798 | 17 | None | -3311 | 15 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| CHEMBL1909065 | 67798 | 17 | None | -3311 | 15 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| 11191047 | 201817 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL60699 | 201817 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 9851486 | 206699 | 0 | None | -223 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL89685 | 206699 | 0 | None | -223 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 1960 | 2857 | 67 | None | -8 | 26 | Golden hamster | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| 439260 | 2857 | 67 | None | -8 | 26 | Golden hamster | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| 505 | 2857 | 67 | None | -8 | 26 | Golden hamster | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| CHEMBL1437 | 2857 | 67 | None | -8 | 26 | Golden hamster | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| DB00368 | 2857 | 67 | None | -8 | 26 | Golden hamster | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| 25130876 | 192625 | 0 | None | -75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/jm800461k | |||
| CHEMBL521665 | 192625 | 0 | None | -75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/jm800461k | |||
| 10841819 | 118754 | 0 | None | -346 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 640 | 7 | 1 | 8 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL341838 | 118754 | 0 | None | -346 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 640 | 7 | 1 | 8 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 9890459 | 16931 | 0 | None | -1318 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 460 | 10 | 1 | 7 | 1.3 | CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12529 | 16931 | 0 | None | -1318 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 460 | 10 | 1 | 7 | 1.3 | CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 3055 | 1433 | 44 | None | -1 | 9 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 313 | 1433 | 44 | None | -1 | 9 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 7163 | 1433 | 44 | None | -1 | 9 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| CHEMBL936 | 1433 | 44 | None | -1 | 9 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| DB01231 | 1433 | 44 | None | -1 | 9 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 12840734 | 100929 | 3 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293968 | 100929 | 3 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm030944+ | |||
| 164585473 | 184562 | 0 | None | -5 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 503 | 5 | 1 | 2 | 7.2 | O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | |||
| CHEMBL4848380 | 184562 | 0 | None | -5 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 503 | 5 | 1 | 2 | 7.2 | O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | |||
| 44431618 | 144904 | 0 | None | -19 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391017 | 144904 | 0 | None | -19 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 136806211 | 207683 | 0 | None | -61 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328738 | 207683 | 0 | None | -61 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95434 | 207683 | 0 | None | -61 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44431184 | 92850 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243866 | 92850 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| 10627021 | 107095 | 0 | None | -194 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | |||
| CHEMBL315914 | 107095 | 0 | None | -194 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | |||
| 10406315 | 193325 | 0 | None | -120 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 361 | 2 | 2 | 5 | 3.5 | COc1cc2c(cc1O)C[C@H]1c3c(c(Cl)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | |||
| CHEMBL524439 | 193325 | 0 | None | -120 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 361 | 2 | 2 | 5 | 3.5 | COc1cc2c(cc1O)C[C@H]1c3c(c(Cl)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | |||
| 25130879 | 173237 | 0 | None | -64 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | |||
| CHEMBL452437 | 173237 | 0 | None | -64 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | |||
| 10531476 | 34345 | 0 | None | -269 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 590 | 8 | 2 | 10 | 3.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 | 10.1021/jm990200p | |||
| CHEMBL142743 | 34345 | 0 | None | -269 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 590 | 8 | 2 | 10 | 3.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 | 10.1021/jm990200p | |||
| 10579632 | 35585 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 611 | 9 | 2 | 7 | 5.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL143940 | 35585 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 611 | 9 | 2 | 7 | 5.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 11133868 | 155342 | 0 | None | -11 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | |||
| CHEMBL40325 | 155342 | 0 | None | -11 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | |||
| 155563002 | 176668 | 0 | None | -13 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4570387 | 176668 | 0 | None | -13 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4598207 | 176668 | 0 | None | -13 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 11812340 | 208445 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 445 | 7 | 1 | 7 | 4.0 | CCc1nc2c3ccccc3nc-2c(O)n1CCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0307741 | |||
| CHEMBL99979 | 208445 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 445 | 7 | 1 | 7 | 4.0 | CCc1nc2c3ccccc3nc-2c(O)n1CCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0307741 | |||
| 11782656 | 29083 | 0 | None | -1412 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 336 | 9 | 1 | 4 | 3.8 | COc1cccc2c(CCCNCCOc3ccccn3)cccc12 | 10.1021/jm010866v | |||
| CHEMBL138109 | 29083 | 0 | None | -1412 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 336 | 9 | 1 | 4 | 3.8 | COc1cccc2c(CCCNCCOc3ccccn3)cccc12 | 10.1021/jm010866v | |||
| 10792536 | 206776 | 0 | None | -14 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 540 | 7 | 3 | 3 | 4.7 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| CHEMBL90184 | 206776 | 0 | None | -14 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 540 | 7 | 3 | 3 | 4.7 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| 10840177 | 38116 | 0 | None | -537 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL146109 | 38116 | 0 | None | -537 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10698630 | 44433 | 0 | None | -1230 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 589 | 11 | 3 | 8 | 3.4 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL151878 | 44433 | 0 | None | -1230 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 589 | 11 | 3 | 8 | 3.4 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 11348796 | 100730 | 4 | None | -10 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL292686 | 100730 | 4 | None | -10 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1 | 10.1021/jm030944+ | |||
| 10793261 | 121053 | 0 | None | -2290 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL356829 | 121053 | 0 | None | -2290 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 44426404 | 142566 | 0 | None | -21 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL389104 | 142566 | 0 | None | -21 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| 71455894 | 83802 | 0 | None | -2 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205827 | 83802 | 0 | None | -2 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| 71455894 | 83802 | 0 | None | -2 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2205827 | 83802 | 0 | None | -2 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| 16041264 | 95443 | 0 | None | -17 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257077 | 95443 | 0 | None | -17 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 44316072 | 205016 | 0 | None | -309 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL76867 | 205016 | 0 | None | -309 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 11857862 | 142054 | 0 | None | -48 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL387833 | 142054 | 0 | None | -48 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 44431620 | 87798 | 0 | None | -81 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233790 | 87798 | 0 | None | -81 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 180707 | 115134 | 2 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343975 | 115134 | 2 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44299975 | 101888 | 0 | None | -17 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL300766 | 101888 | 0 | None | -17 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10393665 | 33922 | 0 | None | -47 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL142383 | 33922 | 0 | None | -47 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 90645593 | 112485 | 0 | None | -30 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 569 | 8 | 2 | 8 | 3.9 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298746 | 112485 | 0 | None | -30 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 569 | 8 | 2 | 8 | 3.9 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 180707 | 115134 | 2 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343975 | 115134 | 2 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 71817386 | 102586 | 0 | None | -58 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419769 | 102586 | 0 | None | -58 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL3040851 | 102586 | 0 | None | -58 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 10481087 | 169466 | 0 | None | -281 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 8 | 1 | 3 | 6.2 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3Cl)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL44294 | 169466 | 0 | None | -281 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 8 | 1 | 3 | 6.2 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3Cl)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44275255 | 98604 | 0 | None | -223 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 636 | 12 | 2 | 7 | 7.2 | CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC | 10.1021/jm960697s | |||
| CHEMBL276932 | 98604 | 0 | None | -223 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 636 | 12 | 2 | 7 | 7.2 | CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC | 10.1021/jm960697s | |||
| 155552821 | 176683 | 0 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4544457 | 176683 | 0 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4598345 | 176683 | 0 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 25130875 | 187627 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | |||
| CHEMBL494908 | 187627 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | |||
| 6604803 | 116518 | 2 | None | -1258 | 3 | Golden hamster | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | |||
| CHEMBL336161 | 116518 | 2 | None | -1258 | 3 | Golden hamster | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | |||
| 10721730 | 37493 | 0 | None | -354 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145571 | 37493 | 0 | None | -354 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10506222 | 111486 | 0 | None | -691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.5 | COCC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL327716 | 111486 | 0 | None | -691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.5 | COCC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 56945166 | 71528 | 0 | None | -30 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| CHEMBL1946785 | 71528 | 0 | None | -30 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| CHEMBL1962872 | 71528 | 0 | None | -30 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| 118716702 | 114995 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 396 | 4 | 0 | 7 | 1.1 | COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342855 | 114995 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 396 | 4 | 0 | 7 | 1.1 | COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 16041265 | 95337 | 0 | None | -14 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256597 | 95337 | 0 | None | -14 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | |||
| 38 | 958 | 93 | None | -3 | 89 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | |||
| 722 | 958 | 93 | None | -3 | 89 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | |||
| 1443 | 2028 | 34 | None | -5 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 33625 | 2028 | 34 | None | -5 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 501 | 2028 | 34 | None | -5 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| CHEMBL279516 | 2028 | 34 | None | -5 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| DB08950 | 2028 | 34 | None | -5 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 10526419 | 199048 | 0 | None | -7 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.7 | COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC | 10.1021/jm000541z | |||
| CHEMBL58612 | 199048 | 0 | None | -7 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.7 | COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC | 10.1021/jm000541z | |||
| 122179431 | 121443 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| CHEMBL3582272 | 121443 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| 44299835 | 198402 | 0 | None | -61 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL57691 | 198402 | 0 | None | -61 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10576661 | 206858 | 0 | None | -2238 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL90652 | 206858 | 0 | None | -2238 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 4038180 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| 480 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| CHEMBL109783 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| 3303 | 2244 | 46 | None | -4265 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | |||
| 5311200 | 2244 | 46 | None | -4265 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | |||
| CHEMBL267014 | 2244 | 46 | None | -4265 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | |||
| 10769499 | 44216 | 0 | None | -489 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 576 | 10 | 3 | 8 | 3.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL151668 | 44216 | 0 | None | -489 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 576 | 10 | 3 | 8 | 3.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 10287924 | 109833 | 0 | None | -89 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 388 | 4 | 0 | 5 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12 | 10.1021/jm401958n | |||
| CHEMBL3233411 | 109833 | 0 | None | -89 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 388 | 4 | 0 | 5 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12 | 10.1021/jm401958n | |||
| 11164948 | 37743 | 0 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 3.1 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| CHEMBL145793 | 37743 | 0 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 3.1 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| 9947861 | 204162 | 0 | None | -5 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70634 | 204162 | 0 | None | -5 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 4038180 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 480 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109783 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 4038180 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| 480 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| CHEMBL109783 | 204 | 14 | None | -257 | 7 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| 71455083 | 81830 | 0 | None | -489 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 6 | 0 | 3 | 4.8 | O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | |||
| CHEMBL2164354 | 81830 | 0 | None | -489 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 6 | 0 | 3 | 4.8 | O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | |||
| 11857864 | 85684 | 0 | None | -190 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228659 | 85684 | 0 | None | -190 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 16041630 | 97547 | 0 | None | -14 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL270589 | 97547 | 0 | None | -14 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10318686 | 104283 | 0 | None | -2754 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL309969 | 104283 | 0 | None | -2754 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 18187410 | 104898 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 418 | 6 | 1 | 6 | 3.5 | O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL311247 | 104898 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 418 | 6 | 1 | 6 | 3.5 | O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 9797396 | 12881 | 0 | None | 22 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188811 | 12881 | 0 | None | 22 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL537428 | 12881 | 0 | None | 22 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 9797396 | 12881 | 0 | None | 22 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL1188811 | 12881 | 0 | None | 22 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL537428 | 12881 | 0 | None | 22 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| 10552656 | 161312 | 0 | None | -4 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | |||
| CHEMBL41234 | 161312 | 0 | None | -4 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | |||
| 10691912 | 168020 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL432147 | 168020 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10625617 | 161696 | 0 | None | -3 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL41344 | 161696 | 0 | None | -3 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 11800077 | 100512 | 0 | None | -6 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL291154 | 100512 | 0 | None | -6 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 44428849 | 143629 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 436 | 4 | 2 | 7 | 2.8 | COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL389978 | 143629 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 436 | 4 | 2 | 7 | 2.8 | COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 11016418 | 106122 | 0 | None | -5 | 8 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 488 | 6 | 0 | 7 | 4.2 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL313424 | 106122 | 0 | None | -5 | 8 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 488 | 6 | 0 | 7 | 4.2 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 9910451 | 164130 | 0 | None | -3 | 6 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 4.7 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL420997 | 164130 | 0 | None | -3 | 6 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 4.7 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 10434440 | 205494 | 0 | None | -25 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 461 | 8 | 1 | 8 | 2.9 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80641 | 205494 | 0 | None | -25 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 461 | 8 | 1 | 8 | 2.9 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 10606670 | 199092 | 0 | None | -13 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 465 | 6 | 0 | 8 | 2.4 | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC | 10.1021/jm000541z | |||
| CHEMBL58862 | 199092 | 0 | None | -13 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 465 | 6 | 0 | 8 | 2.4 | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC | 10.1021/jm000541z | |||
| 10620533 | 201864 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL60722 | 201864 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10503057 | 102621 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL304215 | 102621 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10411384 | 157164 | 0 | None | -6 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40754 | 157164 | 0 | None | -6 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 10678161 | 100815 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 455 | 5 | 1 | 8 | 2.2 | COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | |||
| CHEMBL293236 | 100815 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 455 | 5 | 1 | 8 | 2.2 | COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | |||
| 10527469 | 156265 | 3 | None | -7 | 15 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40650 | 156265 | 3 | None | -7 | 15 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10742076 | 100318 | 0 | None | -3 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL289361 | 100318 | 0 | None | -3 | 2 | Golden hamster | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 9934955 | 72276 | 0 | None | 2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19826 | 72276 | 0 | None | 2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 52948958 | 17153 | 0 | None | -10 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1255724 | 17153 | 0 | None | -10 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 49781228 | 17205 | 1 | None | -31 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| CHEMBL1256414 | 17205 | 1 | None | -31 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 958 | 93 | None | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 958 | 93 | None | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 9841781 | 123060 | 0 | None | 13 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 359 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609357 | 123060 | 0 | None | 13 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 359 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 | 10.1016/j.bmcl.2015.07.046 | |||
| 9847845 | 28453 | 0 | None | -9 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13754 | 28453 | 0 | None | -9 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 10743310 | 169232 | 0 | None | -10 | 2 | Golden hamster | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 2.4 | COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | |||
| CHEMBL441032 | 169232 | 0 | None | -10 | 2 | Golden hamster | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 2.4 | COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | |||
| 10717073 | 202625 | 0 | None | -3 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 | 10.1021/jm000541z | |||
| CHEMBL61225 | 202625 | 0 | None | -3 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 | 10.1021/jm000541z | |||
| 10961351 | 163501 | 0 | None | -11 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 3.0 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0009336 | |||
| CHEMBL420205 | 163501 | 0 | None | -11 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 3.0 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0009336 | |||
| 9931976 | 60318 | 1 | None | -4 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | |||
| CHEMBL1744044 | 60318 | 1 | None | -4 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | |||
| 148842 | 3946 | 27 | None | -28 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | |||
| 496 | 3946 | 27 | None | -28 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | |||
| CHEMBL278865 | 3946 | 27 | None | -28 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | |||
| 11092254 | 205466 | 0 | None | -14 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 8 | 1 | 8 | 3.5 | COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80458 | 205466 | 0 | None | -14 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 8 | 1 | 8 | 3.5 | COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 3033538 | 1319 | 39 | None | -2 | 9 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 7155 | 1319 | 39 | None | -2 | 9 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 781 | 1319 | 39 | None | -2 | 9 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| CHEMBL1201216 | 1319 | 39 | None | -2 | 9 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| DB00298 | 1319 | 39 | None | -2 | 9 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 144096995 | 164496 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 371 | 8 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4214499 | 164496 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 371 | 8 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| 10817365 | 36713 | 0 | None | -501 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL144933 | 36713 | 0 | None | -501 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 44340836 | 161734 | 0 | None | -60 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 4.4 | O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(F)cc2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| CHEMBL413707 | 161734 | 0 | None | -60 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 4.4 | O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(F)cc2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| 53328314 | 63389 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 4.2 | O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796034 | 63389 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 4.2 | O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 90645603 | 112436 | 0 | None | -9 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 4.9 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298021 | 112436 | 0 | None | -9 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 4.9 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 155555859 | 176227 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4551941 | 176227 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4594653 | 176227 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 71454865 | 84603 | 0 | None | -30 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153551 | 84603 | 0 | None | -30 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2221145 | 84603 | 0 | None | -30 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 11857862 | 142054 | 0 | None | -48 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL387833 | 142054 | 0 | None | -48 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 44295192 | 101722 | 0 | None | -338 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 574 | 7 | 2 | 10 | 2.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL299539 | 101722 | 0 | None | -338 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 574 | 7 | 2 | 10 | 2.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 11624518 | 200343 | 3 | None | -20 | 6 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 352 | 4 | 0 | 4 | 3.8 | Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2012.08.011 | |||
| CHEMBL597601 | 200343 | 3 | None | -20 | 6 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 352 | 4 | 0 | 4 | 3.8 | Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2012.08.011 | |||
| 809084 | 80462 | 4 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 265 | 2 | 1 | 3 | 4.2 | CC(C)(C)Nc1c(-c2ccccc2)nc2ccccn12 | 10.1021/acs.jmedchem.9b01956 | |||
| CHEMBL2146625 | 80462 | 4 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 265 | 2 | 1 | 3 | 4.2 | CC(C)(C)Nc1c(-c2ccccc2)nc2ccccn12 | 10.1021/acs.jmedchem.9b01956 | |||
| 19085839 | 205782 | 0 | None | -97 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83041 | 205782 | 0 | None | -97 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 44431554 | 166678 | 0 | None | -234 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL428197 | 166678 | 0 | None | -234 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 155533100 | 176344 | 0 | None | -416 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4468507 | 176344 | 0 | None | -416 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595564 | 176344 | 0 | None | -416 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 44426405 | 85669 | 0 | None | -7 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228554 | 85669 | 0 | None | -7 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | |||
| 25132566 | 187323 | 0 | None | -50 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm800461k | |||
| CHEMBL493041 | 187323 | 0 | None | -50 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm800461k | |||
| 11857710 | 85620 | 0 | None | -67 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228279 | 85620 | 0 | None | -67 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 10603688 | 121146 | 0 | None | -645 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| CHEMBL357681 | 121146 | 0 | None | -645 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| 44316098 | 169166 | 0 | None | -831 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL440499 | 169166 | 0 | None | -831 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 44340834 | 110225 | 0 | None | -169 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 4.0 | O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| CHEMBL323778 | 110225 | 0 | None | -169 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 4.0 | O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| 76330198 | 85336 | 0 | None | -3 | 2 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 5 | 3 | 5 | 2.0 | CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261348 | 85336 | 0 | None | -3 | 2 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 5 | 3 | 5 | 2.0 | CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 44431546 | 88142 | 0 | None | -39 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234680 | 88142 | 0 | None | -39 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 21302490 | 112805 | 32 | None | -6 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | 10.1021/jm401958n | |||
| CHEMBL3233142 | 112805 | 32 | None | -6 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | 10.1021/jm401958n | |||
| CHEMBL3306803 | 112805 | 32 | None | -6 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | 10.1021/jm401958n | |||
| 10095044 | 102304 | 0 | None | -21 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 445 | 6 | 0 | 8 | 3.2 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL303464 | 102304 | 0 | None | -21 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 445 | 6 | 0 | 8 | 3.2 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL5273244 | 194616 | 0 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 468 | 9 | 1 | 6 | 2.9 | COCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315364 | 194616 | 0 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 468 | 9 | 1 | 6 | 2.9 | COCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5272464 | 194625 | 0 | None | -35 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 10 | 1 | 5 | 4.4 | CCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315453 | 194625 | 0 | None | -35 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 10 | 1 | 5 | 4.4 | CCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| 24803797 | 61080 | 0 | None | -7 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 626 | 11 | 0 | 6 | 7.6 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | |||
| CHEMBL1765111 | 61080 | 0 | None | -7 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 626 | 11 | 0 | 6 | 7.6 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | |||
| 17747460 | 61329 | 12 | None | -125 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767164 | 61329 | 12 | None | -125 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| 148842 | 3946 | 27 | None | -28 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| 496 | 3946 | 27 | None | -28 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| CHEMBL278865 | 3946 | 27 | None | -28 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| 155567201 | 176228 | 0 | None | -19 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4588223 | 176228 | 0 | None | -19 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4594654 | 176228 | 0 | None | -19 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | |||
| 50905589 | 56354 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630942 | 56354 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 3567002 | 3387 | 9 | None | -125 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | |||
| 7381 | 3387 | 9 | None | -125 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL56331 | 3387 | 9 | None | -125 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | |||
| 10626772 | 36236 | 0 | None | -776 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1 | 10.1021/jm9902032 | |||
| CHEMBL144534 | 36236 | 0 | None | -776 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1 | 10.1021/jm9902032 | |||
| 10816815 | 119355 | 0 | None | -776 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 566 | 6 | 2 | 5 | 4.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL344339 | 119355 | 0 | None | -776 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 566 | 6 | 2 | 5 | 4.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10580182 | 37473 | 0 | None | -1862 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 658 | 7 | 1 | 8 | 4.0 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL145553 | 37473 | 0 | None | -1862 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 658 | 7 | 1 | 8 | 4.0 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 46881463 | 7218 | 0 | None | -79 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 293 | 3 | 1 | 2 | 2.7 | O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.01.090 | |||
| CHEMBL1085672 | 7218 | 0 | None | -79 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 293 | 3 | 1 | 2 | 2.7 | O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.01.090 | |||
| 52937018 | 61300 | 0 | None | -31 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.6 | CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767135 | 61300 | 0 | None | -31 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.6 | CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 52937732 | 61314 | 0 | None | -1258 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 3.4 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767149 | 61314 | 0 | None | -1258 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 3.4 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 52937223 | 61322 | 23 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 4.1 | CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767157 | 61322 | 23 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 4.1 | CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 24803316 | 61327 | 0 | None | -794 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 600 | 15 | 1 | 6 | 6.9 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767162 | 61327 | 0 | None | -794 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 600 | 15 | 1 | 6 | 6.9 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| 11168182 | 3534 | 25 | None | -50 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | |||
| 264 | 3534 | 25 | None | -50 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | |||
| CHEMBL1181770 | 3534 | 25 | None | -50 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | |||
| 11191906 | 11767 | 0 | None | -6 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | |||
| CHEMBL1181665 | 11767 | 0 | None | -6 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | |||
| CHEMBL187928 | 11767 | 0 | None | -6 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | |||
| 49781008 | 17250 | 0 | None | -26 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256608 | 17250 | 0 | None | -26 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10154 | 142129 | 59 | None | -64 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.9 | COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | |||
| CHEMBL388342 | 142129 | 59 | None | -64 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.9 | COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | |||
| 145955016 | 162519 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4167693 | 162519 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 119204 | 184269 | 40 | None | -12 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 | 10.1039/C7MD00629B | |||
| CHEMBL483825 | 184269 | 40 | None | -12 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 | 10.1039/C7MD00629B | |||
| 21509921 | 104458 | 0 | None | -316 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 104458 | 0 | None | -316 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 11802456 | 170960 | 0 | None | -316 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 584 | 9 | 3 | 7 | 2.9 | CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL445577 | 170960 | 0 | None | -316 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 584 | 9 | 3 | 7 | 2.9 | CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 10791843 | 163400 | 0 | None | -138 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| CHEMBL419497 | 163400 | 0 | None | -138 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| 10841296 | 36456 | 0 | None | -46 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 601 | 8 | 0 | 7 | 6.1 | COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL144731 | 36456 | 0 | None | -46 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 601 | 8 | 0 | 7 | 6.1 | COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 3251 | 4072 | 58 | None | -489 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | |||
| 5684 | 4072 | 58 | None | -489 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | |||
| 80 | 4072 | 58 | None | -489 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | |||
| CHEMBL31354 | 4072 | 58 | None | -489 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | |||
| 3251 | 4072 | 58 | None | -489 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm1009956 | |||
| 5684 | 4072 | 58 | None | -489 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm1009956 | |||
| 80 | 4072 | 58 | None | -489 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm1009956 | |||
| CHEMBL31354 | 4072 | 58 | None | -489 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm1009956 | |||
| 1531 | 2266 | 69 | None | -6 | 16 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 3869 | 2266 | 69 | None | -6 | 16 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 7207 | 2266 | 69 | None | -6 | 16 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| CHEMBL429 | 2266 | 69 | None | -6 | 16 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| DB00598 | 2266 | 69 | None | -6 | 16 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 44390708 | 64271 | 0 | None | -630 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1021/jm960697s | |||
| CHEMBL180932 | 64271 | 0 | None | -630 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1021/jm960697s | |||
| 44531812 | 194682 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL532818 | 194682 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 25131193 | 86190 | 0 | None | -229 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL2312225 | 86190 | 0 | None | -229 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | |||
| 24894141 | 187409 | 0 | None | -31 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | |||
| CHEMBL493697 | 187409 | 0 | None | -31 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | |||
| 25131193 | 86190 | 0 | None | -229 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL2312225 | 86190 | 0 | None | -229 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 118716699 | 114831 | 0 | None | -19 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 348 | 4 | 0 | 6 | 1.7 | COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3341769 | 114831 | 0 | None | -19 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 348 | 4 | 0 | 6 | 1.7 | COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 10198248 | 187449 | 40 | None | -14 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL49395 | 187449 | 40 | None | -14 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| 44531812 | 194682 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL532818 | 194682 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 44455426 | 155149 | 0 | None | -4 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| CHEMBL402143 | 155149 | 0 | None | -4 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 10032383 | 110110 | 0 | None | -323 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136680387 | 110110 | 0 | None | -323 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL323579 | 110110 | 0 | None | -323 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44433348 | 167349 | 0 | None | -21 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL429453 | 167349 | 0 | None | -21 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | |||
| 2419 | 695 | 28 | None | -74 | 12 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| 9 | 695 | 28 | None | -74 | 12 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| CHEMBL13647 | 695 | 28 | None | -74 | 12 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| 3158 | 56267 | 27 | None | -229 | 20 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 56267 | 27 | None | -229 | 20 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| 10792591 | 206823 | 0 | None | -15 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | |||
| CHEMBL90453 | 206823 | 0 | None | -15 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | |||
| 52941512 | 17198 | 0 | None | -190 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256378 | 17198 | 0 | None | -190 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10893672 | 205412 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80132 | 205412 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 90645594 | 112486 | 0 | None | -10 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 4.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298747 | 112486 | 0 | None | -10 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 4.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 71458492 | 84569 | 0 | None | -8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153556 | 84569 | 0 | None | -8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220896 | 84569 | 0 | None | -8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 9894818 | 98925 | 0 | None | -141 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| CHEMBL279436 | 98925 | 0 | None | -141 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| 9959689 | 101813 | 0 | None | -416 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL300222 | 101813 | 0 | None | -416 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 44288857 | 168783 | 0 | None | -43 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL43749 | 168783 | 0 | None | -43 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 9894818 | 98925 | 0 | None | -141 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 98925 | 0 | None | -141 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 44390749 | 63910 | 0 | None | -186 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm960697s | |||
| CHEMBL180561 | 63910 | 0 | None | -186 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm960697s | |||
| 53328313 | 63387 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796032 | 63387 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 21509921 | 104458 | 0 | None | -316 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 104458 | 0 | None | -316 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 185076 | 187090 | 5 | None | -870 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL49137 | 187090 | 5 | None | -870 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 10892762 | 78821 | 0 | None | -87 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 7 | 1 | 4 | 3.8 | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 | 10.1021/jm010866v | |||
| CHEMBL2112774 | 78821 | 0 | None | -87 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 7 | 1 | 4 | 3.8 | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 | 10.1021/jm010866v | |||
| 44431553 | 87486 | 0 | None | -16 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233416 | 87486 | 0 | None | -16 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 68617 | 205527 | 62 | None | -6 | 26 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL1709 | 205527 | 62 | None | -6 | 26 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL809 | 205527 | 62 | None | -6 | 26 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| 11857711 | 85626 | 0 | None | -89 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228332 | 85626 | 0 | None | -89 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| 10626843 | 168665 | 0 | None | -67 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 568 | 10 | 0 | 8 | 5.0 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL436407 | 168665 | 0 | None | -67 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 568 | 10 | 0 | 8 | 5.0 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 6075 | 150108 | 42 | None | -3 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| CHEMBL395110 | 150108 | 42 | None | -3 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| 44288841 | 101139 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL295304 | 101139 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 118717461 | 115143 | 0 | None | 6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343983 | 115143 | 0 | None | 6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44426404 | 85627 | 0 | None | -23 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228333 | 85627 | 0 | None | -23 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| 44295218 | 189102 | 0 | None | -22 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL51019 | 189102 | 0 | None | -22 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 10371061 | 36701 | 0 | None | -1380 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL144925 | 36701 | 0 | None | -1380 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 10769037 | 37208 | 0 | None | -104 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145332 | 37208 | 0 | None | -104 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10793504 | 41740 | 0 | None | -436 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 588 | 10 | 3 | 8 | 3.2 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1021/jm980506g | |||
| CHEMBL149263 | 41740 | 0 | None | -436 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 588 | 10 | 3 | 8 | 3.2 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1021/jm980506g | |||
| 73347826 | 92542 | 0 | None | -2 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432049 | 92542 | 0 | None | -2 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | |||
| 10221005 | 204322 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| CHEMBL71479 | 204322 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| 19968568 | 85339 | 0 | None | -5 | 2 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 1.5 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261353 | 85339 | 0 | None | -5 | 2 | Golden hamster | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 1.5 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 44329026 | 208425 | 0 | None | -67 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL99864 | 208425 | 0 | None | -67 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44431607 | 147595 | 0 | None | -616 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL393105 | 147595 | 0 | None | -616 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 71450550 | 83807 | 0 | None | -7 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205836 | 83807 | 0 | None | -7 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| 118717461 | 115143 | 0 | None | 6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343983 | 115143 | 0 | None | 6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 10840194 | 111828 | 0 | None | -245 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 3.6 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL328763 | 111828 | 0 | None | -245 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 3.6 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 10368033 | 100425 | 0 | None | -50 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL290387 | 100425 | 0 | None | -50 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10368033 | 100425 | 0 | None | -50 | 3 | Golden hamster | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL290387 | 100425 | 0 | None | -50 | 3 | Golden hamster | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 71817549 | 102580 | 0 | None | -42 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3040803 | 102580 | 0 | None | -42 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3216590 | 102580 | 0 | None | -42 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| 11474937 | 197174 | 0 | None | -29 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 5 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56804 | 197174 | 0 | None | -29 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 5 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm030944+ | |||
| 10553701 | 100296 | 0 | None | -10 | 2 | Golden hamster | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL289166 | 100296 | 0 | None | -10 | 2 | Golden hamster | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 11234230 | 101701 | 0 | None | -33 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL299454 | 101701 | 0 | None | -33 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44300129 | 167428 | 0 | None | -912 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL429697 | 167428 | 0 | None | -912 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 44294958 | 188331 | 0 | None | -151 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 554 | 7 | 3 | 7 | 1.9 | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL50081 | 188331 | 0 | None | -151 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 554 | 7 | 3 | 7 | 1.9 | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 9888164 | 17951 | 1 | None | -181 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12603 | 17951 | 1 | None | -181 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 11857861 | 194780 | 0 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL538397 | 194780 | 0 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 11857794 | 85668 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228553 | 85668 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | |||
| 44300170 | 168260 | 0 | None | -15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL433832 | 168260 | 0 | None | -15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 16041630 | 97547 | 0 | None | -14 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL270589 | 97547 | 0 | None | -14 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10531675 | 36781 | 0 | None | -19 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 602 | 8 | 2 | 5 | 5.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL144989 | 36781 | 0 | None | -19 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 602 | 8 | 2 | 5 | 5.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10720893 | 37368 | 0 | None | -181 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 4.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145459 | 37368 | 0 | None | -181 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 4.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 136680383 | 168002 | 0 | None | -21 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328800 | 168002 | 0 | None | -21 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL432026 | 168002 | 0 | None | -21 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 90645595 | 112487 | 0 | None | -30 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 611 | 11 | 2 | 8 | 5.1 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298748 | 112487 | 0 | None | -30 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 611 | 11 | 2 | 8 | 5.1 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 16041629 | 95446 | 0 | None | -14 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257097 | 95446 | 0 | None | -14 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 9916549 | 121564 | 0 | None | -446 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL358595 | 121564 | 0 | None | -446 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 14378574 | 108587 | 0 | None | -14 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1021/jm0307741 | |||
| CHEMBL320397 | 108587 | 0 | None | -14 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1021/jm0307741 | |||
| 9982585 | 101516 | 0 | None | -281 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 479 | 8 | 1 | 3 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL298058 | 101516 | 0 | None | -281 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 479 | 8 | 1 | 3 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL4566600 | 214014 | 0 | None | -1 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | 10.6019/CHEMBL5212743 | |||||
| CHEMBL4745071 | 214014 | 0 | None | -1 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | 10.6019/CHEMBL5212743 | |||||
| 10578715 | 102675 | 0 | None | -3311 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 4.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| CHEMBL304591 | 102675 | 0 | None | -3311 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 4.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| 9894818 | 98925 | 0 | None | -141 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 98925 | 0 | None | -141 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 118716720 | 115014 | 0 | None | -19 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 425 | 5 | 0 | 7 | 1.0 | COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342873 | 115014 | 0 | None | -19 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 425 | 5 | 0 | 7 | 1.0 | COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44431613 | 87582 | 0 | None | -5 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 529 | 10 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233584 | 87582 | 0 | None | -5 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 529 | 10 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| 10326069 | 39296 | 1 | None | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| CHEMBL147077 | 39296 | 1 | None | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| 44390749 | 63910 | 0 | None | -186 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL180561 | 63910 | 0 | None | -186 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 11857709 | 85639 | 0 | None | -17 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857709 | 85639 | 0 | None | -17 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228389 | 85639 | 0 | None | -17 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228389 | 85639 | 0 | None | -17 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 19085869 | 168125 | 0 | None | -30 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL432947 | 168125 | 0 | None | -30 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 10603739 | 16389 | 0 | None | -46 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCC1=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL123012 | 16389 | 0 | None | -46 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCC1=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 155544514 | 176355 | 0 | None | -11 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4526865 | 176355 | 0 | None | -11 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595671 | 176355 | 0 | None | -11 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 9845172 | 169109 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 4 | 0 | 3 | 4.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL440118 | 169109 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 4 | 0 | 3 | 4.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44288162 | 168999 | 0 | None | -2 | 2 | Golden hamster | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | |||
| CHEMBL43921 | 168999 | 0 | None | -2 | 2 | Golden hamster | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | |||
| 10793261 | 121053 | 0 | None | -2290 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| CHEMBL356829 | 121053 | 0 | None | -2290 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| 11994673 | 12316 | 0 | None | -17 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL1185036 | 12316 | 0 | None | -17 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL385371 | 12316 | 0 | None | -17 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| 71817861 | 102406 | 0 | None | -11 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3039699 | 102406 | 0 | None | -11 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3217244 | 102406 | 0 | None | -11 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| 18738412 | 205409 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 365 | 6 | 1 | 6 | 3.3 | OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL80125 | 205409 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 365 | 6 | 1 | 6 | 3.3 | OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| 16041263 | 95447 | 0 | None | -8 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257098 | 95447 | 0 | None | -8 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 11948707 | 166167 | 0 | None | -933 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | |||
| CHEMBL426317 | 166167 | 0 | None | -933 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | |||
| 487 | 3634 | 21 | None | -1000 | 11 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| 60602 | 3634 | 21 | None | -1000 | 11 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| CHEMBL405355 | 3634 | 21 | None | -1000 | 11 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| DB09239 | 3634 | 21 | None | -1000 | 11 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| 51002362 | 82622 | 0 | None | -6 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 3.8 | COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1 | 10.1021/jm300955x | |||
| CHEMBL2179222 | 82622 | 0 | None | -6 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 3.8 | COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1 | 10.1021/jm300955x | |||
| 56649650 | 67858 | 0 | None | -43 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| CHEMBL1910141 | 67858 | 0 | None | -43 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| 90645602 | 112435 | 0 | None | -10 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 7 | 1 | 8 | 5.0 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298020 | 112435 | 0 | None | -10 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 7 | 1 | 8 | 5.0 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 9931327 | 69810 | 1 | None | -199 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 2.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 | 10.1021/jm0491391 | |||
| CHEMBL193620 | 69810 | 1 | None | -199 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 2.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 | 10.1021/jm0491391 | |||
| 72205222 | 91948 | 0 | None | -2 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 8 | 0 | 4 | 5.1 | Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| CHEMBL2414358 | 91948 | 0 | None | -2 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 8 | 0 | 4 | 5.1 | Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| 11058166 | 204705 | 0 | None | 1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL74114 | 204705 | 0 | None | 1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10507651 | 206507 | 0 | None | -42 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL88388 | 206507 | 0 | None | -42 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 155515301 | 169967 | 0 | None | -31 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4441888 | 169967 | 0 | None | -31 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| 18738385 | 203724 | 0 | None | -758 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL67713 | 203724 | 0 | None | -758 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 44431547 | 88143 | 0 | None | -436 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234681 | 88143 | 0 | None | -436 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 136806214 | 208129 | 0 | None | -85 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44329028 | 208129 | 0 | None | -85 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL98038 | 208129 | 0 | None | -85 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 134157330 | 153704 | 0 | None | -128 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 7 | 1 | 5 | 2.7 | COc1ccccc1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3981480 | 153704 | 0 | None | -128 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 7 | 1 | 5 | 2.7 | COc1ccccc1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| 11505007 | 90264 | 0 | None | -4 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL238402 | 90264 | 0 | None | -4 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 16041263 | 95447 | 0 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257098 | 95447 | 0 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 11488170 | 35230 | 0 | None | 5 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 467 | 10 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | |||
| CHEMBL143558 | 35230 | 0 | None | 5 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 467 | 10 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | |||
| 24803482 | 61333 | 0 | None | -158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767168 | 61333 | 0 | None | -158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| 489 | 145 | 28 | None | -316 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | |||
| 5640 | 145 | 28 | None | -316 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | |||
| CHEMBL420060 | 145 | 28 | None | -316 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | |||
| 1443 | 2028 | 34 | None | -5 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| 33625 | 2028 | 34 | None | -5 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| 501 | 2028 | 34 | None | -5 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| CHEMBL279516 | 2028 | 34 | None | -5 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| DB08950 | 2028 | 34 | None | -5 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| 9817640 | 99330 | 0 | None | -9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1021/jm960697s | |||
| CHEMBL282214 | 99330 | 0 | None | -9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1021/jm960697s | |||
| 44361064 | 31615 | 0 | None | 3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | |||
| CHEMBL140450 | 31615 | 0 | None | 3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | |||
| 52943739 | 17159 | 0 | None | -89 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | |||
| CHEMBL1255771 | 17159 | 0 | None | -89 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | |||
| 49781006 | 17240 | 0 | None | -12 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256565 | 17240 | 0 | None | -12 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 101876962 | 115138 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343979 | 115138 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 56946474 | 71516 | 0 | None | -47 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| CHEMBL1946779 | 71516 | 0 | None | -47 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| CHEMBL1962769 | 71516 | 0 | None | -47 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| 44298626 | 195477 | 0 | None | -125 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 427 | 7 | 1 | 7 | 1.4 | Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL55290 | 195477 | 0 | None | -125 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 427 | 7 | 1 | 7 | 1.4 | Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL346649 | 119629 | 0 | None | -104 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 604 | 11 | 2 | 9 | 4.9 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| 44295193 | 101778 | 0 | None | -11 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 576 | 7 | 2 | 9 | 2.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL299984 | 101778 | 0 | None | -11 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 576 | 7 | 2 | 9 | 2.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 9844511 | 104596 | 0 | None | -1862 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL310471 | 104596 | 0 | None | -1862 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 44431555 | 89163 | 0 | None | -51 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236618 | 89163 | 0 | None | -51 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10698880 | 120868 | 0 | None | -630 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL355910 | 120868 | 0 | None | -630 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 11800278 | 39191 | 0 | None | -15 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 527 | 10 | 3 | 8 | 2.4 | CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL146983 | 39191 | 0 | None | -15 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 527 | 10 | 3 | 8 | 2.4 | CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 10646816 | 43381 | 0 | None | -9 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 441 | 8 | 3 | 6 | 2.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1 | 10.1021/jm980506g | |||
| CHEMBL150743 | 43381 | 0 | None | -9 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 441 | 8 | 3 | 6 | 2.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1 | 10.1021/jm980506g | |||
| 52937527 | 61303 | 0 | None | -2511 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 4 | 1 | 5 | 2.8 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767138 | 61303 | 0 | None | -2511 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 4 | 1 | 5 | 2.8 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 52937728 | 61310 | 0 | None | -794 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.2 | CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767145 | 61310 | 0 | None | -794 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.2 | CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 44417715 | 11838 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL1182160 | 11838 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL215857 | 11838 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| 71449516 | 84604 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153552 | 84604 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2221146 | 84604 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 44298644 | 163127 | 0 | None | -100 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 454 | 7 | 1 | 6 | 2.6 | Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL417758 | 163127 | 0 | None | -100 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 454 | 7 | 1 | 6 | 2.6 | Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 17753379 | 87803 | 0 | None | -57 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233816 | 87803 | 0 | None | -57 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11049209 | 207405 | 0 | None | -8 | 8 | Golden hamster | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 4.4 | Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL93923 | 207405 | 0 | None | -8 | 8 | Golden hamster | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 4.4 | Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 10606657 | 201488 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL60510 | 201488 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10838523 | 101200 | 0 | None | -10 | 2 | Golden hamster | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL295741 | 101200 | 0 | None | -10 | 2 | Golden hamster | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 11046644 | 30704 | 0 | None | -10 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 361 | 6 | 0 | 4 | 4.0 | COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 | 10.1021/jm010866v | |||
| CHEMBL139505 | 30704 | 0 | None | -10 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 361 | 6 | 0 | 4 | 4.0 | COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 | 10.1021/jm010866v | |||
| 10767626 | 155323 | 0 | None | -1 | 2 | Golden hamster | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40310 | 155323 | 0 | None | -1 | 2 | Golden hamster | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10575494 | 165747 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 449 | 7 | 1 | 8 | 2.5 | COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| CHEMBL424658 | 165747 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 449 | 7 | 1 | 8 | 2.5 | COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| 16721110 | 83689 | 0 | None | -26 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 5 | 1 | 6 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL220515 | 83689 | 0 | None | -26 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 5 | 1 | 6 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 9891166 | 33612 | 0 | None | -10 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL14213 | 33612 | 0 | None | -10 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 10531 | 1420 | 21 | None | -16 | 23 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 121 | 1420 | 21 | None | -16 | 23 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 888 | 1420 | 21 | None | -16 | 23 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL1732 | 1420 | 21 | None | -16 | 23 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00320 | 1420 | 21 | None | -16 | 23 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 2284 | 3182 | 33 | None | -2 | 29 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 3182 | 33 | None | -2 | 29 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 3182 | 33 | None | -2 | 29 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 3182 | 33 | None | -2 | 29 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 3182 | 33 | None | -2 | 29 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 1043 | 1582 | 14 | None | -50 | 28 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 149 | 1582 | 14 | None | -50 | 28 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 8223 | 1582 | 14 | None | -50 | 28 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL442 | 1582 | 14 | None | -50 | 28 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00696 | 1582 | 14 | None | -50 | 28 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 10310103 | 107312 | 0 | None | -1 | 8 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 425 | 5 | 0 | 5 | 5.3 | N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | |||
| CHEMBL317333 | 107312 | 0 | None | -1 | 8 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 425 | 5 | 0 | 5 | 5.3 | N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | |||
| 136 | 3292 | 32 | None | -29 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 223 | 3292 | 32 | None | -29 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 643606 | 3292 | 32 | None | -29 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| CHEMBL10347 | 3292 | 32 | None | -29 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 9955302 | 100167 | 0 | None | -14 | 2 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL287965 | 100167 | 0 | None | -14 | 2 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 490 | 191 | 8 | None | -23 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 9890547 | 191 | 8 | None | -23 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL268758 | 191 | 8 | None | -23 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 10974101 | 116953 | 0 | None | -29 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| CHEMBL338608 | 116953 | 0 | None | -29 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 9817327 | 123056 | 0 | None | 50 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 285 | 5 | 1 | 2 | 3.3 | CN(C)CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609353 | 123056 | 0 | None | 50 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 285 | 5 | 1 | 2 | 3.3 | CN(C)CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | |||
| 10815240 | 206852 | 0 | None | -33 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL90606 | 206852 | 0 | None | -33 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 | 10.1021/jm990612y | |||
| 49781676 | 17872 | 0 | None | -5 | 3 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259062 | 17872 | 0 | None | -5 | 3 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 1353 | 1911 | 93 | None | -4 | 83 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 1911 | 93 | None | -4 | 83 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 1911 | 93 | None | -4 | 83 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 1911 | 93 | None | -4 | 83 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 1911 | 93 | None | -4 | 83 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 2726 | 919 | 68 | None | -3 | 72 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 919 | 68 | None | -3 | 72 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 919 | 68 | None | -3 | 72 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 919 | 68 | None | -3 | 72 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 919 | 68 | None | -3 | 72 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 11154198 | 201614 | 0 | None | -9 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL60583 | 201614 | 0 | None | -9 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 101876962 | 115138 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343979 | 115138 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 10767264 | 206994 | 0 | None | -102 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 486 | 7 | 3 | 3 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL91405 | 206994 | 0 | None | -102 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 486 | 7 | 3 | 3 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 11140347 | 204533 | 1 | None | -6 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72768 | 204533 | 1 | None | -6 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 49781223 | 17252 | 0 | None | -79 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256610 | 17252 | 0 | None | -79 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10554957 | 32993 | 0 | None | -1000 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1 | 10.1021/jm9902032 | |||
| CHEMBL141604 | 32993 | 0 | None | -1000 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1 | 10.1021/jm9902032 | |||
| 44431617 | 88342 | 0 | None | -79 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234854 | 88342 | 0 | None | -79 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 72205044 | 91945 | 0 | None | -1 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 8 | 0 | 5 | 4.3 | Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| CHEMBL2414355 | 91945 | 0 | None | -1 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 8 | 0 | 5 | 4.3 | Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| 10721476 | 36999 | 0 | None | -1318 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 554 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145170 | 36999 | 0 | None | -1318 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 554 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10352428 | 101105 | 1 | None | -58 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1016/j.bmc.2009.10.015 | |||
| CHEMBL295072 | 101105 | 1 | None | -58 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1016/j.bmc.2009.10.015 | |||
| 11857861 | 194780 | 0 | None | -53 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL538397 | 194780 | 0 | None | -53 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 9894818 | 98925 | 0 | None | -141 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | |||
| CHEMBL279436 | 98925 | 0 | None | -141 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | |||
| 134138438 | 147343 | 0 | None | -134 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 378 | 4 | 0 | 5 | 4.3 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3929328 | 147343 | 0 | None | -134 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 378 | 4 | 0 | 5 | 4.3 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| 10895266 | 4253 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 5 | 1 | 6 | 4.5 | Cc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccc(C(C)C)cc2)CC1 | 10.1021/jm0307741 | |||
| CHEMBL100481 | 4253 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 5 | 1 | 6 | 4.5 | Cc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccc(C(C)C)cc2)CC1 | 10.1021/jm0307741 | |||
| 1201549 | 597 | 24 | None | -15 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 333 | 597 | 24 | None | -15 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 7601 | 597 | 24 | None | -15 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL1201203 | 597 | 24 | None | -15 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL438151 | 597 | 24 | None | -15 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| DB00245 | 597 | 24 | None | -15 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 26987 | 949 | 33 | None | -63 | 21 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 949 | 33 | None | -63 | 21 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 949 | 33 | None | -63 | 21 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 949 | 33 | None | -63 | 21 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 949 | 33 | None | -63 | 21 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 10369288 | 207258 | 0 | None | -169 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL92951 | 207258 | 0 | None | -169 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 10769331 | 111533 | 0 | None | -79 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | |||
| CHEMBL327931 | 111533 | 0 | None | -79 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | |||
| 46881444 | 7615 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.5 | COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1088072 | 7615 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.5 | COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 9906978 | 42711 | 2 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| CHEMBL150161 | 42711 | 2 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 10554745 | 37232 | 0 | None | -97 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 552 | 10 | 1 | 6 | 4.9 | COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1 | 10.1021/jm9902032 | |||
| CHEMBL145353 | 37232 | 0 | None | -97 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 552 | 10 | 1 | 6 | 4.9 | COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1 | 10.1021/jm9902032 | |||
| 10578735 | 121120 | 0 | None | -28 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL357439 | 121120 | 0 | None | -28 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10769058 | 165678 | 0 | None | -371 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL424494 | 165678 | 0 | None | -371 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 44431173 | 92802 | 0 | None | -134 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 519 | 5 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243690 | 92802 | 0 | None | -134 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 519 | 5 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 10836245 | 102747 | 0 | None | -1380 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL305029 | 102747 | 0 | None | -1380 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL552830 | 102747 | 0 | None | -1380 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 10841387 | 99618 | 0 | None | -128 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL284103 | 99618 | 0 | None | -128 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| 10841387 | 99618 | 0 | None | -128 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL284103 | 99618 | 0 | None | -128 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| 71521479 | 86259 | 0 | None | -1348 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL2312536 | 86259 | 0 | None | -1348 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 44431587 | 87834 | 0 | None | -52 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233849 | 87834 | 0 | None | -52 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 180 | 401 | 56 | None | -33 | 40 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 401 | 56 | None | -33 | 40 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 401 | 56 | None | -33 | 40 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 401 | 56 | None | -33 | 40 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 401 | 56 | None | -33 | 40 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 145951352 | 162760 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4171710 | 162760 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 118716703 | 114996 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 4 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342856 | 114996 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 4 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 13091268 | 78224 | 0 | None | -46 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| CHEMBL210578 | 78224 | 0 | None | -46 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| 49783415 | 17678 | 0 | None | -1778 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | |||
| CHEMBL1258452 | 17678 | 0 | None | -1778 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | |||
| 44431562 | 87974 | 0 | None | -25 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234194 | 87974 | 0 | None | -25 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL4795065 | 214052 | 25 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1 | 10.6019/CHEMBL4800730 | |||||
| 10047430 | 104761 | 0 | None | -4786 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL310768 | 104761 | 0 | None | -4786 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 44417709 | 12420 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| CHEMBL1185857 | 12420 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| CHEMBL436955 | 12420 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| 76315668 | 85335 | 0 | None | -70 | 2 | Golden hamster | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 4 | 3 | 5 | 1.6 | CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261347 | 85335 | 0 | None | -70 | 2 | Golden hamster | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 4 | 3 | 5 | 1.6 | CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL4795065 | 214052 | 25 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1 | 10.6019/CHEMBL4800730 | |||||
| 10627329 | 37443 | 0 | None | -8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 4.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145525 | 37443 | 0 | None | -8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 4.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10091187 | 78824 | 1 | None | -208 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 4.6 | COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 | 10.1021/jm010866v | |||
| CHEMBL2112779 | 78824 | 1 | None | -208 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 4.6 | COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 | 10.1021/jm010866v | |||
| 9822942 | 197937 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.7 | CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | |||
| CHEMBL57317 | 197937 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.7 | CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | |||
| 44340854 | 10059 | 0 | None | -61 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 493 | 6 | 2 | 6 | 4.1 | O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| CHEMBL115262 | 10059 | 0 | None | -61 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 493 | 6 | 2 | 6 | 4.1 | O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| 10627094 | 121091 | 0 | None | -269 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 581 | 10 | 0 | 7 | 5.8 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL357131 | 121091 | 0 | None | -269 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 581 | 10 | 0 | 7 | 5.8 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 49832191 | 167539 | 0 | None | -501 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4218307 | 167539 | 0 | None | -501 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4300210 | 167539 | 0 | None | -501 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| 134153527 | 152437 | 0 | None | -19 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 307 | 6 | 1 | 4 | 3.4 | c1ccc(OCCNCC2CSC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3970754 | 152437 | 0 | None | -19 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 307 | 6 | 1 | 4 | 3.4 | c1ccc(OCCNCC2CSC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| 131829 | 204727 | 15 | None | -676 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL74283 | 204727 | 15 | None | -676 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | |||
| 277 | 1301 | 62 | None | -21 | 50 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 1301 | 62 | None | -21 | 50 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 1301 | 62 | None | -21 | 50 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 1301 | 62 | None | -21 | 50 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 1301 | 62 | None | -21 | 50 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 144096985 | 164094 | 0 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 9 | 1 | 4 | 3.5 | CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4209590 | 164094 | 0 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 9 | 1 | 4 | 3.5 | CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| 44431192 | 92559 | 0 | None | -56 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243228 | 92559 | 0 | None | -56 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 10745305 | 37136 | 0 | None | -120 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 553 | 9 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145278 | 37136 | 0 | None | -120 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 553 | 9 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 702235 | 53212 | 97 | None | 1 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL15988 | 53212 | 97 | None | 1 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL2011564 | 53212 | 97 | None | 1 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| 10697623 | 107167 | 0 | None | -2398 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 3.6 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| CHEMBL316358 | 107167 | 0 | None | -2398 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 3.6 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| 11757736 | 33747 | 0 | None | -870 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 570 | 9 | 2 | 6 | 4.3 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL142243 | 33747 | 0 | None | -870 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 570 | 9 | 2 | 6 | 4.3 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 11857861 | 85676 | 0 | None | -89 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857861 | 85676 | 0 | None | -89 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228606 | 85676 | 0 | None | -89 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228606 | 85676 | 0 | None | -89 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 12134986 | 164394 | 0 | None | -1174 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL421324 | 164394 | 0 | None | -1174 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 9894818 | 98925 | 0 | None | -141 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 98925 | 0 | None | -141 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 46882086 | 5816 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cc(OC)cc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1078954 | 5816 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cc(OC)cc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | |||
| 10621592 | 84571 | 0 | None | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153559 | 84571 | 0 | None | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220898 | 84571 | 0 | None | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 136680386 | 207703 | 0 | None | -93 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328801 | 207703 | 0 | None | -93 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95578 | 207703 | 0 | None | -93 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 9958160 | 198854 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 515 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL58384 | 198854 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 515 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 2142 | 3096 | 58 | None | -18 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 4920903 | 3096 | 58 | None | -18 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 502 | 3096 | 58 | None | -18 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 5775 | 3096 | 58 | None | -18 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| CHEMBL597 | 3096 | 58 | None | -18 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| DB00692 | 3096 | 58 | None | -18 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 10438280 | 101598 | 0 | None | -446 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990200p | |||
| 10438280 | 101598 | 0 | None | -446 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL298713 | 101598 | 0 | None | -446 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990200p | |||
| CHEMBL298713 | 101598 | 0 | None | -446 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10363912 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| CHEMBL1082862 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| CHEMBL286003 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| 44288485 | 162520 | 0 | None | -29 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41677 | 162520 | 0 | None | -29 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10651027 | 121063 | 0 | None | -11 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 588 | 11 | 3 | 7 | 3.7 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| CHEMBL356923 | 121063 | 0 | None | -11 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 588 | 11 | 3 | 7 | 3.7 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| 9817256 | 204238 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| CHEMBL71001 | 204238 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| 11176459 | 101637 | 0 | None | -8 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL299022 | 101637 | 0 | None | -8 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 44431184 | 92850 | 0 | None | -38 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243866 | 92850 | 0 | None | -38 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 10617200 | 26434 | 0 | None | -8 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| CHEMBL135973 | 26434 | 0 | None | -8 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| 46934791 | 16690 | 0 | None | -14 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242818 | 16690 | 0 | None | -14 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 10363912 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL1082862 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL286003 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 10363912 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1082862 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL286003 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 145962085 | 162001 | 0 | None | 6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4159468 | 162001 | 0 | None | 6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 10363912 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| CHEMBL1082862 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| CHEMBL286003 | 6538 | 0 | None | -77 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| 9887378 | 98405 | 4 | None | -5011 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL275469 | 98405 | 4 | None | -5011 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 10674564 | 203937 | 0 | None | -2570 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 569 | 10 | 1 | 7 | 4.3 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL69264 | 203937 | 0 | None | -2570 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 569 | 10 | 1 | 7 | 4.3 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 9904117 | 9402 | 3 | None | -44 | 4 | Golden hamster | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111554 | 9402 | 3 | None | -44 | 4 | Golden hamster | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9904117 | 9402 | 3 | None | -44 | 4 | Golden hamster | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111554 | 9402 | 3 | None | -44 | 4 | Golden hamster | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 60820 | 4308 | 14 | None | -2344 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | 10.1016/j.bmc.2008.02.091 | |||
| CHEMBL10085 | 4308 | 14 | None | -2344 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | 10.1016/j.bmc.2008.02.091 | |||
| 60820 | 4308 | 14 | None | -2344 | 13 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | 10.1021/jm00034a003 | |||
| CHEMBL10085 | 4308 | 14 | None | -2344 | 13 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | 10.1021/jm00034a003 | |||
| 122187555 | 123055 | 0 | None | 3 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 324 | 5 | 1 | 1 | 5.7 | c1ccc2c(C3CCN(CCCC4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609352 | 123055 | 0 | None | 3 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 324 | 5 | 1 | 1 | 5.7 | c1ccc2c(C3CCN(CCCC4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 9892644 | 197346 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 511 | 4 | 0 | 4 | 4.0 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56899 | 197346 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 511 | 4 | 0 | 4 | 4.0 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 | 10.1021/jm030944+ | |||
| 118717456 | 115136 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343977 | 115136 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 11857639 | 143884 | 1 | None | -154 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL390184 | 143884 | 1 | None | -154 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 44431590 | 87979 | 0 | None | -33 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234231 | 87979 | 0 | None | -33 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 16041090 | 95393 | 0 | None | -5 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256853 | 95393 | 0 | None | -5 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | |||
| 16041628 | 155350 | 0 | None | -38 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL403280 | 155350 | 0 | None | -38 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 13149 | 2545 | 36 | None | -79 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 3034396 | 2545 | 36 | None | -79 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| CHEMBL299031 | 2545 | 36 | None | -79 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 118716701 | 114994 | 0 | None | -11 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 1.5 | COc1ccccc1N1CCN(CC2COC3(CC[S+]([O-])CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342854 | 114994 | 0 | None | -11 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 1.5 | COc1ccccc1N1CCN(CC2COC3(CC[S+]([O-])CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 136806218 | 112678 | 0 | None | -75 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328754 | 112678 | 0 | None | -75 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL330401 | 112678 | 0 | None | -75 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 118717456 | 115136 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343977 | 115136 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44331277 | 4476 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.9 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101869 | 4476 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.9 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| 10674791 | 38171 | 0 | None | -10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm990200p | |||
| CHEMBL146163 | 38171 | 0 | None | -10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm990200p | |||
| 71452768 | 79571 | 0 | None | -53 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| CHEMBL2114249 | 79571 | 0 | None | -53 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| 11994551 | 11840 | 0 | None | -4 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| CHEMBL1182179 | 11840 | 0 | None | -4 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| CHEMBL217143 | 11840 | 0 | None | -4 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| 9959671 | 32671 | 0 | None | -363 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL141322 | 32671 | 0 | None | -363 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10578548 | 37012 | 0 | None | -398 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145178 | 37012 | 0 | None | -398 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 146025727 | 171685 | 0 | None | -177 | 27 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4466483 | 171685 | 0 | None | -177 | 27 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| 10506729 | 203699 | 0 | None | -1174 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 544 | 9 | 1 | 6 | 4.4 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL67552 | 203699 | 0 | None | -1174 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 544 | 9 | 1 | 6 | 4.4 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 16041449 | 95220 | 0 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256040 | 95220 | 0 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 123981 | 16459 | 22 | None | -269 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| CHEMBL123349 | 16459 | 22 | None | -269 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| CHEMBL536803 | 16459 | 22 | None | -269 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| 44431545 | 88081 | 0 | None | -181 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234669 | 88081 | 0 | None | -181 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10841387 | 99618 | 0 | None | -128 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL284103 | 99618 | 0 | None | -128 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 71817545 | 92124 | 0 | None | -61 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419765 | 92124 | 0 | None | -61 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 132060812 | 162036 | 0 | None | -1288 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4160064 | 162036 | 0 | None | -1288 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | |||
| 2274 | 3173 | 58 | None | -9 | 31 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 4917 | 3173 | 58 | None | -9 | 31 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 7279 | 3173 | 58 | None | -9 | 31 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL728 | 3173 | 58 | None | -9 | 31 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| DB00433 | 3173 | 58 | None | -9 | 31 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 44331174 | 4169 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 4.9 | O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL100052 | 4169 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 4.9 | O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 | 10.1016/s0960-894x(98)00732-x | |||
| 10745901 | 37464 | 0 | None | -2454 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145547 | 37464 | 0 | None | -2454 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 11145007 | 164093 | 0 | None | -35 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 461 | 9 | 1 | 8 | 3.0 | COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL420959 | 164093 | 0 | None | -35 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 461 | 9 | 1 | 8 | 3.0 | COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 11014848 | 205124 | 0 | None | -21 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 399 | 7 | 1 | 8 | 1.5 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL77901 | 205124 | 0 | None | -21 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 399 | 7 | 1 | 8 | 1.5 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 10506484 | 36798 | 0 | None | -489 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 534 | 9 | 0 | 6 | 5.9 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145001 | 36798 | 0 | None | -489 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 534 | 9 | 0 | 6 | 5.9 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10555024 | 121889 | 0 | None | -2454 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 568 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL359012 | 121889 | 0 | None | -2454 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 568 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10326069 | 39296 | 1 | None | -251 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| CHEMBL147077 | 39296 | 1 | None | -251 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| 52942152 | 17067 | 0 | None | -9 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 438 | 13 | 1 | 7 | 4.2 | COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254743 | 17067 | 0 | None | -9 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 438 | 13 | 1 | 7 | 4.2 | COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 52943356 | 17080 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.6 | COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254829 | 17080 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.6 | COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 44298664 | 197286 | 0 | None | -79 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 2.8 | O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL56863 | 197286 | 0 | None | -79 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 2.8 | O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 11270912 | 199592 | 0 | None | -3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL59262 | 199592 | 0 | None | -3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 10502807 | 163145 | 0 | None | -2 | 2 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.1 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL417890 | 163145 | 0 | None | -2 | 2 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.1 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 506 | 2252 | 39 | None | 1 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 6603904 | 2252 | 39 | None | 1 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| CHEMBL19476 | 2252 | 39 | None | 1 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 9867616 | 168326 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 6 | 1 | 8 | 2.2 | COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| CHEMBL434228 | 168326 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 6 | 1 | 8 | 2.2 | COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| 24897950 | 56352 | 0 | None | -20 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630940 | 56352 | 0 | None | -20 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 135559170 | 102060 | 0 | None | -8 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1 | 10.1021/jm970159v | |||
| CHEMBL302021 | 102060 | 0 | None | -8 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1 | 10.1021/jm970159v | |||
| 11144555 | 205238 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 433 | 8 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL78785 | 205238 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 433 | 8 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 11638677 | 84589 | 0 | None | -38 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | |||
| CHEMBL2153423 | 84589 | 0 | None | -38 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | |||
| CHEMBL2220978 | 84589 | 0 | None | -38 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | |||
| 13305910 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | |||
| CHEMBL1182155 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | |||
| CHEMBL215421 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | |||
| CHEMBL3741808 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | |||
| 13305910 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182155 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL215421 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL3741808 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 13305910 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL1182155 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL215421 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL3741808 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 13305910 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL1182155 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL215421 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL3741808 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 13305910 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL1182155 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL215421 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL3741808 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| 13305910 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL1182155 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL215421 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL3741808 | 11836 | 1 | None | -30 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| 9908478 | 195636 | 1 | None | -18 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm030944+ | |||
| CHEMBL556313 | 195636 | 1 | None | -18 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm030944+ | |||
| 44428850 | 92295 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 4 | 1 | 8 | 2.9 | COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242725 | 92295 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 4 | 1 | 8 | 2.9 | COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 9960497 | 100476 | 0 | None | -154 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL290860 | 100476 | 0 | None | -154 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 19085829 | 205846 | 0 | None | -186 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83592 | 205846 | 0 | None | -186 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 118717457 | 115137 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343978 | 115137 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 16041265 | 95337 | 0 | None | -14 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256597 | 95337 | 0 | None | -14 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10555288 | 34740 | 0 | None | -45 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(Cl)c1 | 10.1021/jm990200p | |||
| CHEMBL143066 | 34740 | 0 | None | -45 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(Cl)c1 | 10.1021/jm990200p | |||
| 2267 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | |||
| 271 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | |||
| 7121 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL639 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | |||
| DB00972 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | |||
| 2267 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | |||
| 271 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | |||
| 7121 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | |||
| CHEMBL639 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | |||
| DB00972 | 559 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | |||
| 24803638 | 61330 | 0 | None | -158 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 636 | 15 | 0 | 7 | 7.1 | COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767165 | 61330 | 0 | None | -158 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 636 | 15 | 0 | 7 | 7.1 | COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | |||
| 24803483 | 61332 | 0 | None | -125 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 654 | 15 | 0 | 6 | 8.2 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767167 | 61332 | 0 | None | -125 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 654 | 15 | 0 | 6 | 8.2 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| 118717457 | 115137 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343978 | 115137 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44298770 | 101611 | 0 | None | -50 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 2.5 | O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL298838 | 101611 | 0 | None | -50 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 2.5 | O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 10507411 | 34182 | 0 | None | -457 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 577 | 9 | 0 | 5 | 7.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL142606 | 34182 | 0 | None | -457 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 577 | 9 | 0 | 5 | 7.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 9959689 | 101813 | 0 | None | -416 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL300222 | 101813 | 0 | None | -416 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 44582675 | 189701 | 0 | None | -8 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| CHEMBL515472 | 189701 | 0 | None | -8 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 52937731 | 61313 | 0 | None | -630 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.4 | Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 | 10.1021/jm1013874 | |||
| CHEMBL1767148 | 61313 | 0 | None | -630 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.4 | Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 | 10.1021/jm1013874 | |||
| 250 | 3386 | 8 | None | -14125 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | |||
| 5311416 | 3386 | 8 | None | -14125 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | |||
| CHEMBL69733 | 3386 | 8 | None | -14125 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | |||
| 53328872 | 63403 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 433 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796048 | 63403 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 433 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 1547484 | 940 | 74 | None | -9 | 20 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 654 | 940 | 74 | None | -9 | 20 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9072 | 940 | 74 | None | -9 | 20 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL43064 | 940 | 74 | None | -9 | 20 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB00568 | 940 | 74 | None | -9 | 20 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 10032383 | 110110 | 0 | None | -323 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136680387 | 110110 | 0 | None | -323 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL323579 | 110110 | 0 | None | -323 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 118717460 | 115142 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343982 | 115142 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44299974 | 101894 | 0 | None | -117 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL300821 | 101894 | 0 | None | -117 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 46934637 | 16671 | 0 | None | -34 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242542 | 16671 | 0 | None | -34 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 118717460 | 115142 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343982 | 115142 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44289525 | 165995 | 0 | None | -56 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL42539 | 165995 | 0 | None | -56 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 10816903 | 37693 | 0 | None | -32 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 571 | 8 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145756 | 37693 | 0 | None | -32 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 571 | 8 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 11079593 | 204115 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70326 | 204115 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 92766 | 106542 | 35 | None | -5 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| CHEMBL31410 | 106542 | 35 | None | -5 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| 10326069 | 39296 | 1 | None | -251 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| CHEMBL147077 | 39296 | 1 | None | -251 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| 25181489 | 187357 | 0 | None | -85 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| CHEMBL493285 | 187357 | 0 | None | -85 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| 9932835 | 100793 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293111 | 100793 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL151825 | 44375 | 0 | None | -109 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 629 | 12 | 2 | 10 | 4.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 179268 | 102166 | 6 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 454 | 2 | 3 | 1 | 6.2 | Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | |||
| CHEMBL302637 | 102166 | 6 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 454 | 2 | 3 | 1 | 6.2 | Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | |||
| 11183468 | 109872 | 2 | None | -10 | 5 | Golden hamster | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL323402 | 109872 | 2 | None | -10 | 5 | Golden hamster | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 11183468 | 109872 | 2 | None | -10 | 5 | Golden hamster | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL323402 | 109872 | 2 | None | -10 | 5 | Golden hamster | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 10721586 | 119721 | 0 | None | -194 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 559 | 10 | 3 | 7 | 3.4 | CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| CHEMBL347522 | 119721 | 0 | None | -194 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 559 | 10 | 3 | 7 | 3.4 | CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 10815593 | 207039 | 0 | None | -436 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| CHEMBL91616 | 207039 | 0 | None | -436 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| 44331079 | 4318 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 5.3 | C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL100878 | 4318 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 5.3 | C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| 44331150 | 4430 | 0 | None | -6 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 530 | 6 | 1 | 7 | 4.4 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101579 | 4430 | 0 | None | -6 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 530 | 6 | 1 | 7 | 4.4 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 | 10.1016/s0960-894x(98)00732-x | |||
| 10020855 | 78823 | 0 | None | -263 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.9 | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 | 10.1021/jm010866v | |||
| CHEMBL2112778 | 78823 | 0 | None | -263 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.9 | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 | 10.1021/jm010866v | |||
| 10949698 | 205287 | 0 | None | -60 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 413 | 8 | 1 | 8 | 1.9 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL79161 | 205287 | 0 | None | -60 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 413 | 8 | 1 | 8 | 1.9 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 46882085 | 5815 | 0 | None | -60 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1078953 | 5815 | 0 | None | -60 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 10792347 | 122006 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 3.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| CHEMBL359375 | 122006 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 3.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| 18738382 | 15267 | 0 | None | -301 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 8 | 0 | 5 | 2.7 | CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12127 | 15267 | 0 | None | -301 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 8 | 0 | 5 | 2.7 | CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 1599 | 2341 | 50 | None | -70 | 16 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 3955 | 2341 | 50 | None | -70 | 16 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 7215 | 2341 | 50 | None | -70 | 16 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL841 | 2341 | 50 | None | -70 | 16 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| DB00836 | 2341 | 50 | None | -70 | 16 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 489 | 145 | 28 | None | -316 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 5640 | 145 | 28 | None | -316 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| CHEMBL420060 | 145 | 28 | None | -316 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 4735 | 195115 | 96 | None | -9 | 10 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| CHEMBL361506 | 195115 | 96 | None | -9 | 10 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| CHEMBL55 | 195115 | 96 | None | -9 | 10 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| 71457691 | 83799 | 0 | None | -1 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205823 | 83799 | 0 | None | -1 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| 2435 | 722 | 100 | None | -28 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 395 | 722 | 100 | None | -28 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 520 | 722 | 100 | None | -28 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 5386 | 722 | 100 | None | -28 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL844 | 722 | 100 | None | -28 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| DB00484 | 722 | 100 | None | -28 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 9908478 | 195636 | 1 | None | -18 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm0491391 | |||
| CHEMBL556313 | 195636 | 1 | None | -18 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm0491391 | |||
| 9929277 | 100978 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.7 | O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL294235 | 100978 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.7 | O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 463 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 6918097 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 837 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| CHEMBL2051956 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| DB14068 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 145958538 | 162265 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4163810 | 162265 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 11303253 | 198597 | 0 | None | -23 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 4 | 3.0 | COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57859 | 198597 | 0 | None | -23 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 4 | 3.0 | COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 44431551 | 87211 | 0 | None | -758 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232780 | 87211 | 0 | None | -758 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 139592915 | 3374 | 35 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| 1465 | 3374 | 35 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| 2410 | 3374 | 35 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| 6915744 | 3374 | 35 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| CHEMBL1214185 | 3374 | 35 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| DB00778 | 3374 | 35 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | nan | |||
| 11994671 | 11829 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182138 | 11829 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214506 | 11829 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 11995036 | 11844 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL1182196 | 11844 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL218732 | 11844 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| 134143085 | 145850 | 0 | None | -354 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 323 | 6 | 1 | 4 | 4.2 | c1ccc(OCCNCC2CSC3(CCCCC3)S2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3917316 | 145850 | 0 | None | -354 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 323 | 6 | 1 | 4 | 4.2 | c1ccc(OCCNCC2CSC3(CCCCC3)S2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| 487 | 3634 | 21 | None | -154 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 60602 | 3634 | 21 | None | -154 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| CHEMBL405355 | 3634 | 21 | None | -154 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| DB09239 | 3634 | 21 | None | -154 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 44331198 | 4459 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 5.2 | c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101739 | 4459 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 5.2 | c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| 44582676 | 189779 | 0 | None | -4 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| CHEMBL516088 | 189779 | 0 | None | -4 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 10698907 | 121031 | 0 | None | -602 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 605 | 12 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| CHEMBL356623 | 121031 | 0 | None | -602 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 605 | 12 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | |||
| 463 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 6918097 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 837 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| CHEMBL2051956 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| DB14068 | 1405 | 22 | None | -25 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 53327991 | 63401 | 0 | None | -7 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796046 | 63401 | 0 | None | -7 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 155562125 | 176343 | 0 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4582160 | 176343 | 0 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595563 | 176343 | 0 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 25131876 | 86192 | 0 | None | -85 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL2312227 | 86192 | 0 | None | -85 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | |||
| 25181488 | 187382 | 0 | None | -54 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | |||
| CHEMBL493486 | 187382 | 0 | None | -54 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | |||
| 25131876 | 86192 | 0 | None | -85 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL2312227 | 86192 | 0 | None | -85 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 44581973 | 175601 | 0 | None | -263 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | |||
| CHEMBL458002 | 175601 | 0 | None | -263 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| 11315660 | 167988 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL431943 | 167988 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 72205046 | 91947 | 0 | None | -6 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 4.7 | Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| CHEMBL2414357 | 91947 | 0 | None | -6 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 4.7 | Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| 10097317 | 200084 | 0 | None | -288 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 8 | 2 | 4 | 4.9 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL59590 | 200084 | 0 | None | -288 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 8 | 2 | 4 | 4.9 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 44289112 | 164897 | 0 | None | -75 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | COc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42220 | 164897 | 0 | None | -75 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | COc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44288810 | 169462 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 483 | 9 | 2 | 3 | 4.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL44288 | 169462 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 483 | 9 | 2 | 3 | 4.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 11281005 | 11843 | 0 | None | -22 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL1182191 | 11843 | 0 | None | -22 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL218079 | 11843 | 0 | None | -22 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| 10722099 | 121094 | 0 | None | -190 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 588 | 8 | 3 | 7 | 2.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL357172 | 121094 | 0 | None | -190 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 588 | 8 | 3 | 7 | 2.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | |||
| 46881443 | 5590 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1077168 | 5590 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | |||
| 44308466 | 203789 | 0 | None | -48 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 429 | 7 | 0 | 7 | 3.2 | COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL68241 | 203789 | 0 | None | -48 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 429 | 7 | 0 | 7 | 3.2 | COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 | 10.1016/s0960-894x(02)00347-5 | |||
| 44431602 | 147594 | 0 | None | -380 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL393104 | 147594 | 0 | None | -380 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 1220 | 187 | 55 | None | -2691 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm0009336 | |||
| 31 | 187 | 55 | None | -2691 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm0009336 | |||
| 7 | 187 | 55 | None | -2691 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm0009336 | |||
| CHEMBL56 | 187 | 55 | None | -2691 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm0009336 | |||
| 1220 | 187 | 55 | None | -2691 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm010866v | |||
| 31 | 187 | 55 | None | -2691 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm010866v | |||
| 7 | 187 | 55 | None | -2691 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm010866v | |||
| CHEMBL56 | 187 | 55 | None | -2691 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm010866v | |||
| 9848303 | 111580 | 0 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL328187 | 111580 | 0 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1016/j.bmc.2012.10.049 | |||
| 9848303 | 111580 | 0 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1021/jm100652h | |||
| CHEMBL328187 | 111580 | 0 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1021/jm100652h | |||
| 10718317 | 100526 | 0 | None | -10 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL291262 | 100526 | 0 | None | -10 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 49781222 | 17251 | 0 | None | -28 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256609 | 17251 | 0 | None | -28 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10839391 | 157370 | 0 | None | -15 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40780 | 157370 | 0 | None | -15 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 52937222 | 61321 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 367 | 3 | 0 | 4 | 3.9 | CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1 | 10.1021/jm1013874 | |||
| CHEMBL1767156 | 61321 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 367 | 3 | 0 | 4 | 3.9 | CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1 | 10.1021/jm1013874 | |||
| 11705133 | 72330 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC | 10.1021/jm0580398 | |||
| CHEMBL198431 | 72330 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC | 10.1021/jm0580398 | |||
| 44298747 | 102008 | 0 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 2.7 | O=c1[nH]cc(C(F)(F)F)c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL301650 | 102008 | 0 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 2.7 | O=c1[nH]cc(C(F)(F)F)c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 10744687 | 100426 | 0 | None | -12 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL290388 | 100426 | 0 | None | -12 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 71508712 | 87068 | 0 | None | -40 | 4 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 3 | 0 | 5 | 4.4 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL2326175 | 87068 | 0 | None | -40 | 4 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 3 | 0 | 5 | 4.4 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | |||
| 90645599 | 112432 | 0 | None | -6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 668 | 13 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298017 | 112432 | 0 | None | -6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 668 | 13 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 90645605 | 112438 | 0 | None | -8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 666 | 13 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298023 | 112438 | 0 | None | -8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 666 | 13 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10456471 | 100533 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | |||
| CHEMBL291303 | 100533 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | |||
| 10348924 | 17945 | 0 | None | -8 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| CHEMBL125989 | 17945 | 0 | None | -8 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| 44289321 | 161968 | 0 | None | -6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL415887 | 161968 | 0 | None | -6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10648335 | 100162 | 0 | None | -8 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL287928 | 100162 | 0 | None | -8 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 52949448 | 16661 | 0 | None | -25 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242352 | 16661 | 0 | None | -25 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 57393527 | 71558 | 0 | None | -25 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946777 | 71558 | 0 | None | -25 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| CHEMBL1963046 | 71558 | 0 | None | -25 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| 19085894 | 205559 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 0 | 9 | 2.3 | CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL81173 | 205559 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 0 | 9 | 2.3 | CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O | 10.1016/s0960-894x(98)00446-6 | |||
| 10917920 | 111446 | 0 | None | -8 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL327527 | 111446 | 0 | None | -8 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 49781680 | 17885 | 0 | None | -6 | 3 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259097 | 17885 | 0 | None | -6 | 3 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 52948823 | 17057 | 0 | None | -5 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 13 | 1 | 5 | 4.9 | COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254659 | 17057 | 0 | None | -5 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 13 | 1 | 5 | 4.9 | COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 10527469 | 156265 | 3 | None | -14 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
| CHEMBL40650 | 156265 | 3 | None | -14 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
| 10696645 | 144122 | 0 | None | -5 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL39037 | 144122 | 0 | None | -5 | 2 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 191 | 403 | 98 | None | -15 | 29 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 201 | 403 | 98 | None | -15 | 29 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 2170 | 403 | 98 | None | -15 | 29 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| CHEMBL1113 | 403 | 98 | None | -15 | 29 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| DB00543 | 403 | 98 | None | -15 | 29 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 16041092 | 95380 | 0 | None | -20 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256804 | 95380 | 0 | None | -20 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 44414173 | 12889 | 0 | None | 7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 4.2 | Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188901 | 12889 | 0 | None | 7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 4.2 | Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL537650 | 12889 | 0 | None | 7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 4.2 | Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.05.002 | |||
| 44431614 | 88037 | 0 | None | -31 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 533 | 9 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234474 | 88037 | 0 | None | -31 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 533 | 9 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44420419 | 83431 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 4 | 0 | 7 | 3.3 | Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL219719 | 83431 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 4 | 0 | 7 | 3.3 | Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C | 10.1016/j.bmcl.2006.09.034 | |||
| 44312037 | 204619 | 1 | None | -5 | 6 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL73392 | 204619 | 1 | None | -5 | 6 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 10627003 | 204340 | 0 | None | -794 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL71580 | 204340 | 0 | None | -794 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 10650843 | 203849 | 0 | None | -630 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL68601 | 203849 | 0 | None | -630 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 12488 | 1657 | 56 | None | -10 | 23 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 941361 | 1657 | 56 | None | -10 | 23 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| CHEMBL30008 | 1657 | 56 | None | -10 | 23 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| DB04841 | 1657 | 56 | None | -10 | 23 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 213 | 3853 | 55 | None | -1 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 2717 | 3853 | 55 | None | -1 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 5533 | 3853 | 55 | None | -1 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| CHEMBL621 | 3853 | 55 | None | -1 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| DB00656 | 3853 | 55 | None | -1 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 10606659 | 100534 | 0 | None | -7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | |||
| CHEMBL291305 | 100534 | 0 | None | -7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | |||
| 10624665 | 100332 | 0 | None | -19 | 2 | Golden hamster | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL289437 | 100332 | 0 | None | -19 | 2 | Golden hamster | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 11994669 | 11830 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182141 | 11830 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214552 | 11830 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 11112527 | 168140 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 6 | 1 | 7 | 3.5 | CCOc1ccccc1N1CCN(CCn2cnc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL433014 | 168140 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 6 | 1 | 7 | 3.5 | CCOc1ccccc1N1CCN(CCn2cnc3c4ccccc4nc-3c2O)CC1 | 10.1021/jm0307741 | |||
| 10415156 | 121138 | 0 | None | -870 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 550 | 8 | 3 | 5 | 3.8 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL357628 | 121138 | 0 | None | -870 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 550 | 8 | 3 | 5 | 3.8 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 18738384 | 164377 | 0 | None | -338 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL421297 | 164377 | 0 | None | -338 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 73355417 | 92539 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 251 | 3 | 1 | 1 | 2.9 | c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432045 | 92539 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 251 | 3 | 1 | 1 | 2.9 | c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | |||
| 10599007 | 204515 | 0 | None | -181 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL72657 | 204515 | 0 | None | -181 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 9864325 | 101738 | 1 | None | -77 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm030944+ | |||
| CHEMBL299691 | 101738 | 1 | None | -77 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm030944+ | |||
| 9976756 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | |||
| CHEMBL1083181 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | |||
| CHEMBL37883 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | |||
| CHEMBL5286701 | 194629 | 0 | None | -99 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 10 | 1 | 6 | 3.3 | COCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315483 | 194629 | 0 | None | -99 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 10 | 1 | 6 | 3.3 | COCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5275284 | 194654 | 0 | None | -87 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 3.9 | CC(C)C(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315872 | 194654 | 0 | None | -87 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 3.9 | CC(C)C(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| 10622206 | 102092 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | |||
| CHEMBL302192 | 102092 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | |||
| 9976756 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL1083181 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL37883 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 49781005 | 17214 | 0 | None | -58 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256503 | 17214 | 0 | None | -58 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 9976756 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1083181 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL37883 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | |||
| 145950240 | 162701 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4170675 | 162701 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 9976756 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL1083181 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL37883 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 9976756 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| CHEMBL1083181 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| CHEMBL37883 | 6607 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| 118716707 | 115001 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342860 | 115001 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44298746 | 195632 | 0 | None | -79 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 452 | 7 | 1 | 6 | 2.4 | Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL55629 | 195632 | 0 | None | -79 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 452 | 7 | 1 | 6 | 2.4 | Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 52937729 | 61311 | 0 | None | -398 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767146 | 61311 | 0 | None | -398 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | |||
| 44581972 | 175600 | 0 | None | -20 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | |||
| CHEMBL458001 | 175600 | 0 | None | -20 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | |||
| 11857863 | 85683 | 0 | None | -28 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228658 | 85683 | 0 | None | -28 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | |||
| 10793963 | 99672 | 0 | None | -9 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL284470 | 99672 | 0 | None | -9 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| 155565449 | 176331 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4579802 | 176331 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595447 | 176331 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 10916464 | 204153 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70563 | 204153 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10764133 | 84572 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153560 | 84572 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220899 | 84572 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 289 | 242 | 12 | None | -5 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| 9948320 | 242 | 12 | None | -5 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| CHEMBL1242950 | 242 | 12 | None | -5 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| 44288815 | 101454 | 0 | None | -87 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL297667 | 101454 | 0 | None | -87 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 102 | 4127 | 48 | None | -158 | 49 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 3659 | 4127 | 48 | None | -158 | 49 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 8969 | 4127 | 48 | None | -158 | 49 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| CHEMBL15245 | 4127 | 48 | None | -158 | 49 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| DB01392 | 4127 | 48 | None | -158 | 49 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 135 | 2532 | 43 | None | -11 | 58 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 2532 | 43 | None | -11 | 58 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 2532 | 43 | None | -11 | 58 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 2532 | 43 | None | -11 | 58 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 2532 | 43 | None | -11 | 58 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 10151426 | 109834 | 0 | None | -26 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 406 | 4 | 0 | 5 | 4.0 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4cc(F)ccc34)CC[C@@H]12 | 10.1021/jm401958n | |||
| CHEMBL3233412 | 109834 | 0 | None | -26 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 406 | 4 | 0 | 5 | 4.0 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4cc(F)ccc34)CC[C@@H]12 | 10.1021/jm401958n | |||
| 11108001 | 10872 | 2 | None | -5 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL117248 | 10872 | 2 | None | -5 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL540542 | 10872 | 2 | None | -5 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 3251 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | |||
| 5684 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | |||
| 80 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL31354 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | |||
| 3251 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | |||
| 5684 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | |||
| 80 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL31354 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | |||
| 3251 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | |||
| 5684 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | |||
| 80 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL31354 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | |||
| 3251 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | |||
| 5684 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | |||
| 80 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | |||
| CHEMBL31354 | 4072 | 58 | None | -489 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | |||
| 9953974 | 77833 | 0 | None | -5 | 3 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | |||
| CHEMBL2092927 | 77833 | 0 | None | -5 | 3 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | |||
| 10650129 | 37508 | 0 | None | -169 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 10 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145587 | 37508 | 0 | None | -169 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 10 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 9864325 | 101738 | 1 | None | -77 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0491391 | |||
| CHEMBL299691 | 101738 | 1 | None | -77 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0491391 | |||
| 1588 | 2325 | 27 | None | -63 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 28864 | 2325 | 27 | None | -63 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 43 | 2325 | 27 | None | -63 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| CHEMBL157138 | 2325 | 27 | None | -63 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| DB00589 | 2325 | 27 | None | -63 | 44 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 10531022 | 121069 | 0 | None | -44 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(F)c1 | 10.1021/jm990200p | |||
| CHEMBL356978 | 121069 | 0 | None | -44 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(F)c1 | 10.1021/jm990200p | |||
| 155557792 | 174685 | 0 | None | -16 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4559278 | 174685 | 0 | None | -16 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | |||
| 50905588 | 56353 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630941 | 56353 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 118716706 | 114999 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 5 | 0 | 6 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342859 | 114999 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 5 | 0 | 6 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44289047 | 100383 | 0 | None | -25 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.2 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL289916 | 100383 | 0 | None | -25 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.2 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44461012 | 104273 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 509 | 6 | 0 | 7 | 3.7 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL309949 | 104273 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 509 | 6 | 0 | 7 | 3.7 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 44289034 | 165953 | 0 | None | -199 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2cccc(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42514 | 165953 | 0 | None | -199 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2cccc(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 11857862 | 85677 | 0 | None | -21 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857862 | 85677 | 0 | None | -21 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228607 | 85677 | 0 | None | -21 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228607 | 85677 | 0 | None | -21 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 124 | 2981 | 47 | None | -218 | 33 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2032 | 2981 | 47 | None | -218 | 33 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 4636 | 2981 | 47 | None | -218 | 33 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| CHEMBL762 | 2981 | 47 | None | -218 | 33 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| DB00935 | 2981 | 47 | None | -218 | 33 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 16041091 | 95221 | 0 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256041 | 95221 | 0 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 135398745 | 2914 | 112 | None | -11 | 65 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm401958n | |||
| 47 | 2914 | 112 | None | -11 | 65 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm401958n | |||
| CHEMBL715 | 2914 | 112 | None | -11 | 65 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm401958n | |||
| DB00334 | 2914 | 112 | None | -11 | 65 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm401958n | |||
| 11109088 | 204180 | 0 | None | -14 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70751 | 204180 | 0 | None | -14 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | |||
| 118716715 | 115009 | 0 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 521 | 6 | 0 | 7 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342868 | 115009 | 0 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 521 | 6 | 0 | 7 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118716718 | 115012 | 0 | None | -75 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342871 | 115012 | 0 | None | -75 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 11857863 | 85678 | 0 | None | -57 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228608 | 85678 | 0 | None | -57 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 43260 | 5482 | 65 | None | -4 | 4 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | |||
| CHEMBL1076 | 5482 | 65 | None | -4 | 4 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | |||
| 11098175 | 204170 | 0 | None | -6 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| CHEMBL70691 | 204170 | 0 | None | -6 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| 43260 | 5482 | 65 | None | -4 | 4 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL1076 | 5482 | 65 | None | -4 | 4 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | |||
| 9926529 | 9389 | 2 | None | -44 | 4 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111496 | 9389 | 2 | None | -44 | 4 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 43260 | 5482 | 65 | None | -4 | 4 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | |||
| CHEMBL1076 | 5482 | 65 | None | -4 | 4 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | |||
| 9934955 | 72276 | 0 | None | -2 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19826 | 72276 | 0 | None | -2 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 2470 | 3653 | 50 | None | -102 | 59 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| 3300 | 3653 | 50 | None | -102 | 59 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| 5265 | 3653 | 50 | None | -102 | 59 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| 99 | 3653 | 50 | None | -102 | 59 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| CHEMBL267930 | 3653 | 50 | None | -102 | 59 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| 9844022 | 123061 | 0 | None | 32 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 401 | 6 | 1 | 2 | 5.6 | c1ccc(C2CCN(CCCN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609358 | 123061 | 0 | None | 32 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 401 | 6 | 1 | 2 | 5.6 | c1ccc(C2CCN(CCCN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2015.07.046 | |||
| 10606661 | 100939 | 0 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 441 | 5 | 1 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL294027 | 100939 | 0 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 441 | 5 | 1 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 102 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 3659 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 8969 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| CHEMBL15245 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| DB01392 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 9800400 | 123057 | 1 | None | 7 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 5 | 1 | 3 | 4.0 | O=C1c2ccccc2C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609354 | 123057 | 1 | None | 7 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 5 | 1 | 3 | 4.0 | O=C1c2ccccc2C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | |||
| 19085876 | 205814 | 0 | None | -87 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83272 | 205814 | 0 | None | -87 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 56961507 | 121442 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | |||
| CHEMBL3582271 | 121442 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | |||
| 11282574 | 37732 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3 | 10.1021/jm030952q | |||
| CHEMBL145785 | 37732 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3 | 10.1021/jm030952q | |||
| 90645600 | 112433 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 640 | 12 | 2 | 9 | 4.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298018 | 112433 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 640 | 12 | 2 | 9 | 4.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 145963755 | 162034 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4160032 | 162034 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 9820229 | 123059 | 0 | None | 6 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 359 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CCN2CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609356 | 123059 | 0 | None | 6 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 359 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CCN2CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | |||
| 10554140 | 119117 | 0 | None | -38 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL342731 | 119117 | 0 | None | -38 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 90645606 | 112439 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298024 | 112439 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 44414264 | 12788 | 0 | None | 7 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 5 | 0 | 3 | 4.5 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)coc2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188050 | 12788 | 0 | None | 7 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 5 | 0 | 3 | 4.5 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)coc2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL534944 | 12788 | 0 | None | 7 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 5 | 0 | 3 | 4.5 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)coc2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 11200086 | 196424 | 0 | None | -3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 0 | 3 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56292 | 196424 | 0 | None | -3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 0 | 3 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44288468 | 168381 | 0 | None | -1 | 2 | Golden hamster | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | |||
| CHEMBL434591 | 168381 | 0 | None | -1 | 2 | Golden hamster | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | |||
| 10474042 | 170253 | 0 | None | -40 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 4.1 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 | 10.1021/jm010866v | |||
| CHEMBL444590 | 170253 | 0 | None | -40 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 4.1 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 | 10.1021/jm010866v | |||
| 44324405 | 206761 | 0 | None | -117 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.9 | CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| CHEMBL90086 | 206761 | 0 | None | -117 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.9 | CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| 134551 | 358 | 27 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 271 | 358 | 27 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 885 | 358 | 27 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| CHEMBL1403281 | 358 | 27 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 52940951 | 17079 | 0 | None | -10 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 427 | 12 | 1 | 5 | 5.0 | COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254828 | 17079 | 0 | None | -10 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 427 | 12 | 1 | 5 | 5.0 | COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 9822814 | 101949 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL301224 | 101949 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44300107 | 100687 | 0 | None | -114 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL292365 | 100687 | 0 | None | -114 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 44414189 | 12814 | 0 | None | 12 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 342 | 5 | 1 | 5 | 3.3 | Oc1nc2ccccc2n1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188266 | 12814 | 0 | None | 12 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 342 | 5 | 1 | 5 | 3.3 | Oc1nc2ccccc2n1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL535838 | 12814 | 0 | None | 12 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 342 | 5 | 1 | 5 | 3.3 | Oc1nc2ccccc2n1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | |||
| 52948119 | 16666 | 0 | None | -13 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242445 | 16666 | 0 | None | -13 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 9959671 | 32671 | 0 | None | -363 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL141322 | 32671 | 0 | None | -363 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL41844 | 163232 | 0 | None | -194 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 590 | 10 | 2 | 9 | 4.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | |||
| 72205045 | 91946 | 0 | None | -3 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.3 | Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| CHEMBL2414356 | 91946 | 0 | None | -3 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.3 | Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| 11800744 | 207331 | 0 | None | -34 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 547 | 7 | 3 | 4 | 4.4 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL93523 | 207331 | 0 | None | -34 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 547 | 7 | 3 | 4 | 4.4 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 10769621 | 118993 | 0 | None | -2290 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL342543 | 118993 | 0 | None | -2290 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL41844 | 163232 | 0 | None | -194 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 590 | 10 | 2 | 9 | 4.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 11857792 | 143903 | 0 | None | -70 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL390192 | 143903 | 0 | None | -70 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 16041091 | 95221 | 0 | None | -7 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256041 | 95221 | 0 | None | -7 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | |||
| 16041264 | 95443 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257077 | 95443 | 0 | None | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 9905929 | 12813 | 0 | None | 26 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 4.5 | Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188265 | 12813 | 0 | None | 26 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 4.5 | Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL535837 | 12813 | 0 | None | 26 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 4.5 | Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | |||
| 44431574 | 146270 | 0 | None | -64 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL392066 | 146270 | 0 | None | -64 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10626493 | 207387 | 0 | None | -239 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 4.0 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O | 10.1021/jm990612y | |||
| CHEMBL93843 | 207387 | 0 | None | -239 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 4.0 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O | 10.1021/jm990612y | |||
| 46934643 | 16677 | 0 | None | -114 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242632 | 16677 | 0 | None | -114 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 53327992 | 63405 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796050 | 63405 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 6603808 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214986 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL36622 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL3740374 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 6603808 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL214986 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL36622 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL3740374 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 6603808 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL214986 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL36622 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL3740374 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| 6603808 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL214986 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL36622 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL3740374 | 127522 | 3 | None | -6 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| 10555134 | 40797 | 0 | None | -173 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 573 | 9 | 2 | 8 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1021/jm980506g | |||
| CHEMBL148552 | 40797 | 0 | None | -173 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 573 | 9 | 2 | 8 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1021/jm980506g | |||
| 10841851 | 34315 | 0 | None | -562 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 569 | 9 | 4 | 6 | 2.2 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL142718 | 34315 | 0 | None | -562 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 569 | 9 | 4 | 6 | 2.2 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 2398 | 954 | 62 | None | -2 | 29 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 954 | 62 | None | -2 | 29 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 954 | 62 | None | -2 | 29 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 954 | 62 | None | -2 | 29 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 954 | 62 | None | -2 | 29 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 11474152 | 100621 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.8 | Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL291908 | 100621 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.8 | Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 44300159 | 101835 | 0 | None | -301 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL300355 | 101835 | 0 | None | -301 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10746137 | 36954 | 0 | None | -138 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL145134 | 36954 | 0 | None | -138 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 132060776 | 162402 | 0 | None | -25 | 16 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4165863 | 162402 | 0 | None | -25 | 16 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| 9809007 | 172564 | 8 | None | -134 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL448620 | 172564 | 8 | None | -134 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 53779053 | 78437 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| CHEMBL2111563 | 78437 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| 44568917 | 187355 | 0 | None | -9 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | |||
| CHEMBL493283 | 187355 | 0 | None | -9 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | |||
| 14925759 | 158038 | 6 | None | -25 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4085780 | 158038 | 6 | None | -25 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 56945164 | 71514 | 0 | None | -229 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | |||
| CHEMBL1946786 | 71514 | 0 | None | -229 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | |||
| CHEMBL1962756 | 71514 | 0 | None | -229 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | |||
| 183528 | 168701 | 6 | None | 16 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 420 | 3 | 4 | 3 | 4.7 | O=C(c1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1)c1c[nH]c2cc(O)ccc12 | 10.1016/0960-894X(96)00376-9 | |||
| CHEMBL436760 | 168701 | 6 | None | 16 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 420 | 3 | 4 | 3 | 4.7 | O=C(c1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1)c1c[nH]c2cc(O)ccc12 | 10.1016/0960-894X(96)00376-9 | |||
| 130442572 | 171908 | 0 | None | -158 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4469848 | 171908 | 0 | None | -158 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| 11312410 | 8902 | 0 | None | -16 | 2 | Golden hamster | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109755 | 8902 | 0 | None | -16 | 2 | Golden hamster | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 53328115 | 63383 | 0 | None | -5 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 407 | 6 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796028 | 63383 | 0 | None | -5 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 407 | 6 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 11312410 | 8902 | 0 | None | -16 | 2 | Golden hamster | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| CHEMBL109755 | 8902 | 0 | None | -16 | 2 | Golden hamster | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| 19085881 | 205768 | 0 | None | -478 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL82877 | 205768 | 0 | None | -478 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 11000184 | 13052 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1190038 | 13052 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL540035 | 13052 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 11135150 | 7603 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1087942 | 7603 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL287686 | 7603 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 3952 | 1888 | 38 | None | -11 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5353646 | 1888 | 38 | None | -11 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5443 | 1888 | 38 | None | -11 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5702063 | 1888 | 38 | None | -11 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL1331786 | 1888 | 38 | None | -11 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL420 | 1888 | 38 | None | -11 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 1376848 | 203756 | 8 | None | -8 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 366 | 4 | 0 | 4 | 3.8 | COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL67932 | 203756 | 8 | None | -8 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 366 | 4 | 0 | 4 | 3.8 | COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 46915370 | 54967 | 0 | None | -1 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | |||
| CHEMBL1241328 | 54967 | 0 | None | -1 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | |||
| CHEMBL1615596 | 54967 | 0 | None | -1 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | |||
| 44426405 | 142053 | 0 | None | -28 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL387832 | 142053 | 0 | None | -28 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | |||
| 16041628 | 155350 | 0 | None | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL403280 | 155350 | 0 | None | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 102012413 | 78656 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| CHEMBL2112365 | 78656 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| 10507129 | 121973 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm990200p | |||
| CHEMBL359173 | 121973 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm990200p | |||
| 10531532 | 207094 | 0 | None | -8 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL91956 | 207094 | 0 | None | -8 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 10320782 | 99977 | 0 | None | -93 | 6 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL286565 | 99977 | 0 | None | -93 | 6 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 10236758 | 115772 | 5 | None | -794 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL3354065 | 115772 | 5 | None | -794 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 44329993 | 207710 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 3 | 2 | 6 | 1.8 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN2c3ccccc3OCC2C1 | 10.1021/jm0307741 | |||
| CHEMBL95605 | 207710 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 3 | 2 | 6 | 1.8 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN2c3ccccc3OCC2C1 | 10.1021/jm0307741 | |||
| 9938248 | 102206 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 580 | 2 | 4 | 3 | 6.0 | CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 | 10.1016/0960-894X(96)00376-9 | |||
| CHEMBL302882 | 102206 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 580 | 2 | 4 | 3 | 6.0 | CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 | 10.1016/0960-894X(96)00376-9 | |||
| 17753379 | 87803 | 0 | None | -57 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233816 | 87803 | 0 | None | -57 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10650633 | 37537 | 0 | None | -64 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1 | 10.1021/jm990200p | |||
| CHEMBL145610 | 37537 | 0 | None | -64 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1 | 10.1021/jm990200p | |||
| 518 | 3612 | 1 | None | -54 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| 9839317 | 3612 | 1 | None | -54 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| CHEMBL123138 | 3612 | 1 | None | -54 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| 136680384 | 207655 | 0 | None | -173 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328799 | 207655 | 0 | None | -173 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95290 | 207655 | 0 | None | -173 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 11857793 | 85658 | 0 | None | -165 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228494 | 85658 | 0 | None | -165 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| 9885114 | 119604 | 5 | None | -186 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | |||
| CHEMBL346389 | 119604 | 5 | None | -186 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | |||
| 9885114 | 119604 | 5 | None | -186 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/acs.jmedchem.7b00151 | |||
| CHEMBL346389 | 119604 | 5 | None | -186 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/acs.jmedchem.7b00151 | |||
| 9830741 | 207856 | 1 | None | -407 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| CHEMBL96467 | 207856 | 1 | None | -407 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| CHEMBL5269671 | 194600 | 0 | None | -112 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 9 | 1 | 5 | 4.0 | CCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315170 | 194600 | 0 | None | -112 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 9 | 1 | 5 | 4.0 | CCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5276489 | 194643 | 0 | None | -70 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.4 | O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCCC1 | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5315725 | 194643 | 0 | None | -70 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.4 | O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCCC1 | 10.1021/acsmedchemlett.7b00112 | |||
| 11152823 | 165259 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| CHEMBL423018 | 165259 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| 52937630 | 61306 | 0 | None | -251 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.2 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| CHEMBL1767140 | 61306 | 0 | None | -251 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.2 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | |||
| 52937119 | 61320 | 0 | None | -12 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.6 | CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 | 10.1021/jm1013874 | |||
| CHEMBL1767155 | 61320 | 0 | None | -12 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.6 | CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 | 10.1021/jm1013874 | |||
| 24803798 | 61325 | 0 | None | -316 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 640 | 12 | 0 | 6 | 7.9 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | |||
| CHEMBL1767160 | 61325 | 0 | None | -316 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 640 | 12 | 0 | 6 | 7.9 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | |||
| 497 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | |||
| 9872515 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | |||
| CHEMBL24777 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | |||
| 52944615 | 17109 | 0 | None | -12 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 431 | 11 | 1 | 4 | 5.6 | Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1255002 | 17109 | 0 | None | -12 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 431 | 11 | 1 | 4 | 5.6 | Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 10621590 | 84606 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153554 | 84606 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2221148 | 84606 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 127040157 | 136927 | 0 | None | -26 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3739897 | 136927 | 0 | None | -26 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3742490 | 136927 | 0 | None | -26 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 497 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | |||
| 9872515 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL24777 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | |||
| 9891937 | 194748 | 0 | None | -100 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.4 | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL53675 | 194748 | 0 | None | -100 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.4 | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 9822812 | 195872 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL55882 | 195872 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 11431037 | 100938 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 457 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL294023 | 100938 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 457 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 441383 | 20333 | 57 | None | -9 | 16 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL1306 | 20333 | 57 | None | -9 | 16 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 11747739 | 13235 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1191324 | 13235 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL542402 | 13235 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 127036932 | 137348 | 0 | None | -26 | 22 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3752900 | 137348 | 0 | None | -26 | 22 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 2162 | 41514 | 100 | None | -5 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL1491 | 41514 | 100 | None | -5 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/s0960-894x(99)00484-9 | |||
| 499 | 4077 | 18 | None | -28 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 5685 | 4077 | 18 | None | -28 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| CHEMBL25554 | 4077 | 18 | None | -28 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 10917316 | 205487 | 0 | None | -15 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 8 | 1 | 8 | 2.6 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80599 | 205487 | 0 | None | -15 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 8 | 1 | 8 | 2.6 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 10582623 | 101768 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL299907 | 101768 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 11485631 | 163151 | 0 | None | 31 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 2.7 | COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL417939 | 163151 | 0 | None | 31 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 2.7 | COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 118716714 | 115008 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 6 | 0 | 7 | 2.7 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342867 | 115008 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 6 | 0 | 7 | 2.7 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 10554913 | 37346 | 0 | None | -11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145443 | 37346 | 0 | None | -11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10506361 | 157705 | 0 | None | -6 | 2 | Golden hamster | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 3.5 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40819 | 157705 | 0 | None | -6 | 2 | Golden hamster | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 3.5 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10575664 | 119208 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 453 | 7 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| CHEMBL343283 | 119208 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 453 | 7 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| 240 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 2769 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 44279790 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 660 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL1729 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL560739 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| DB00604 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 11071135 | 208008 | 0 | None | -3 | 7 | Golden hamster | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 500 | 6 | 0 | 6 | 4.6 | CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O | 10.1021/jm020938y | |||
| CHEMBL97333 | 208008 | 0 | None | -3 | 7 | Golden hamster | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 500 | 6 | 0 | 6 | 4.6 | CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O | 10.1021/jm020938y | |||
| 10650726 | 33758 | 0 | None | -87 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 571 | 9 | 2 | 7 | 3.8 | CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990202+ | |||
| CHEMBL142251 | 33758 | 0 | None | -87 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 571 | 9 | 2 | 7 | 3.8 | CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990202+ | |||
| 10479323 | 34693 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1021/jm030952q | |||
| CHEMBL143026 | 34693 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1021/jm030952q | |||
| 10071710 | 84132 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL220781 | 84132 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10071710 | 84132 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL220781 | 84132 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 49781224 | 17143 | 0 | None | -10 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1255616 | 17143 | 0 | None | -10 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 56946573 | 71526 | 0 | None | -13 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946780 | 71526 | 0 | None | -13 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| CHEMBL1962870 | 71526 | 0 | None | -13 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| 9938248 | 102206 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 580 | 2 | 4 | 3 | 6.0 | CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 | 10.1016/0960-894X(96)00376-9 | |||
| CHEMBL302882 | 102206 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 580 | 2 | 4 | 3 | 6.0 | CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 | 10.1016/0960-894X(96)00376-9 | |||
| 10651636 | 37861 | 0 | None | -1318 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 630 | 8 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145894 | 37861 | 0 | None | -1318 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 630 | 8 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 135398744 | 68662 | 86 | None | -1 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 474 | 7 | 1 | 8 | 1.6 | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | nan | |||
| CHEMBL192 | 68662 | 86 | None | -1 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 474 | 7 | 1 | 8 | 1.6 | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | nan | |||
| 16041451 | 97808 | 0 | None | -12 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL271913 | 97808 | 0 | None | -12 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10393665 | 33922 | 0 | None | -47 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL142383 | 33922 | 0 | None | -47 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 118716721 | 115015 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342874 | 115015 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 10816832 | 121504 | 0 | None | -234 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL358313 | 121504 | 0 | None | -234 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 9802999 | 195674 | 0 | None | -18 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 3.1 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL55655 | 195674 | 0 | None | -18 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 3.1 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 9903797 | 9439 | 5 | None | -63 | 3 | Golden hamster | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | |||
| CHEMBL111734 | 9439 | 5 | None | -63 | 3 | Golden hamster | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | |||
| 9903797 | 9439 | 5 | None | -63 | 3 | Golden hamster | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1021/jm030551a | |||
| CHEMBL111734 | 9439 | 5 | None | -63 | 3 | Golden hamster | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1021/jm030551a | |||
| 44431616 | 88076 | 0 | None | -67 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234649 | 88076 | 0 | None | -67 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11857710 | 142363 | 0 | None | -63 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL388897 | 142363 | 0 | None | -63 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 44420423 | 84005 | 0 | None | -11 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 4.3 | Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL220717 | 84005 | 0 | None | -11 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 4.3 | Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 9909471 | 196906 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56620 | 196906 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 124 | 2981 | 47 | None | -338 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 2032 | 2981 | 47 | None | -338 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 4636 | 2981 | 47 | None | -338 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| CHEMBL762 | 2981 | 47 | None | -338 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| DB00935 | 2981 | 47 | None | -338 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 10903226 | 13770 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1195368 | 13770 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL554416 | 13770 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10747021 | 121020 | 0 | None | -12 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 670 | 8 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL356571 | 121020 | 0 | None | -12 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 670 | 8 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 11394353 | 100889 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.1 | Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293734 | 100889 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.1 | Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1 | 10.1021/jm030944+ | |||
| 10416624 | 109650 | 0 | None | -263 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136806219 | 109650 | 0 | None | -263 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL322405 | 109650 | 0 | None | -263 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44288740 | 101355 | 0 | None | -29 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 437 | 8 | 1 | 3 | 4.9 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL296965 | 101355 | 0 | None | -29 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 437 | 8 | 1 | 3 | 4.9 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 9883506 | 70564 | 0 | None | -66 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL194849 | 70564 | 0 | None | -66 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | |||
| 10744391 | 207363 | 0 | None | -7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL93693 | 207363 | 0 | None | -7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | |||
| 44431594 | 167410 | 0 | None | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL429623 | 167410 | 0 | None | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 487 | 3634 | 21 | None | -154 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| 60602 | 3634 | 21 | None | -154 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| CHEMBL405355 | 3634 | 21 | None | -154 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| DB09239 | 3634 | 21 | None | -154 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| 9960497 | 117075 | 0 | None | -25 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL3392246 | 117075 | 0 | None | -25 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| 46934787 | 16686 | 0 | None | -29 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242724 | 16686 | 0 | None | -29 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 44417713 | 12422 | 0 | None | -18 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1185884 | 12422 | 0 | None | -18 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL439346 | 12422 | 0 | None | -18 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 118716713 | 115007 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 6 | 0 | 7 | 2.4 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342866 | 115007 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 6 | 0 | 7 | 2.4 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118716719 | 115013 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 6 | 0 | 8 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342872 | 115013 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 6 | 0 | 8 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 72205043 | 91944 | 0 | None | -8 | 5 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 7 | 0 | 5 | 3.9 | Clc1ccc(-n2cc(COCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| CHEMBL2414354 | 91944 | 0 | None | -8 | 5 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 7 | 0 | 5 | 3.9 | Clc1ccc(-n2cc(COCCN3CCN(c4ccccc4)CC3)cn2)cc1 | 10.1016/j.ejmech.2013.05.027 | |||
| 11505007 | 168923 | 0 | None | -245 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL438673 | 168923 | 0 | None | -245 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 9906677 | 101045 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.3 | O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL294646 | 101045 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.3 | O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44300018 | 198293 | 0 | None | -20 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57593 | 198293 | 0 | None | -20 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44362867 | 37647 | 0 | None | -186 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 658 | 8 | 2 | 5 | 6.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145719 | 37647 | 0 | None | -186 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 658 | 8 | 2 | 5 | 6.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 1210 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 1213 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2725 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 33036 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4411 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 616 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 6976 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 716121 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1201353 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1554789 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL505 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB01114 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB13679 | 918 | 51 | None | -436 | 21 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 3151 | 1462 | 97 | None | -31 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 945 | 1462 | 97 | None | -31 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 965 | 1462 | 97 | None | -31 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| CHEMBL219916 | 1462 | 97 | None | -31 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| DB01184 | 1462 | 97 | None | -31 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 10791844 | 207157 | 0 | None | -512 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 511 | 7 | 3 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL92328 | 207157 | 0 | None | -512 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 511 | 7 | 3 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 122295 | 9868 | 7 | None | -2 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | |||
| CHEMBL114166 | 9868 | 7 | None | -2 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | |||
| 10745566 | 34318 | 0 | None | -61 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 566 | 10 | 1 | 6 | 5.1 | CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | |||
| CHEMBL142719 | 34318 | 0 | None | -61 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 566 | 10 | 1 | 6 | 5.1 | CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | |||
| 44288792 | 100316 | 0 | None | -134 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 8 | 1 | 3 | 5.5 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(Cl)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL289339 | 100316 | 0 | None | -134 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 8 | 1 | 3 | 5.5 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(Cl)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10722045 | 32815 | 0 | None | -436 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm990200p | |||
| CHEMBL141444 | 32815 | 0 | None | -436 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm990200p | |||
| 9838192 | 111312 | 18 | None | -5 | 5 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | |||
| CHEMBL326702 | 111312 | 18 | None | -5 | 5 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | |||
| 145947545 | 167694 | 0 | None | -794 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4208816 | 167694 | 0 | None | -794 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4302269 | 167694 | 0 | None | -794 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | |||
| 130442480 | 175270 | 0 | None | -107 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4572614 | 175270 | 0 | None | -107 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
| 44341114 | 113390 | 0 | None | -14 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 2 | 3 | 5.1 | O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2cc3ccccc3[nH]2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| CHEMBL331803 | 113390 | 0 | None | -14 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 2 | 3 | 5.1 | O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2cc3ccccc3[nH]2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| 9838192 | 111312 | 18 | None | -5 | 5 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL326702 | 111312 | 18 | None | -5 | 5 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| 44417706 | 11835 | 0 | None | -26 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182152 | 11835 | 0 | None | -26 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| CHEMBL215188 | 11835 | 0 | None | -26 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| 10221830 | 9421 | 0 | None | -3 | 2 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.7 | CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111685 | 9421 | 0 | None | -3 | 2 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.7 | CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 9838192 | 111312 | 18 | None | -5 | 5 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | |||
| CHEMBL326702 | 111312 | 18 | None | -5 | 5 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | |||
| 10790988 | 116100 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 483 | 8 | 1 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| CHEMBL335731 | 116100 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 483 | 8 | 1 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | |||
| 491 | 192 | 9 | None | -60 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 9891167 | 192 | 9 | None | -60 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13856 | 192 | 9 | None | -60 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 145962817 | 161519 | 0 | None | -3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4128311 | 161519 | 0 | None | -3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 10742417 | 202773 | 0 | None | -4 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 455 | 5 | 1 | 6 | 3.0 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl | 10.1021/jm000541z | |||
| CHEMBL62109 | 202773 | 0 | None | -4 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 455 | 5 | 1 | 6 | 3.0 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl | 10.1021/jm000541z | |||
| 46934945 | 16698 | 0 | None | -4 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242912 | 16698 | 0 | None | -4 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 73352416 | 92553 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 271 | 3 | 0 | 1 | 3.6 | CN(CC1CCCCC1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432063 | 92553 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 271 | 3 | 0 | 1 | 3.6 | CN(CC1CCCCC1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| 3168 | 9262 | 92 | None | -13 | 21 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| CHEMBL1108 | 9262 | 92 | None | -13 | 21 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 9954092 | 196646 | 0 | None | -77 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56438 | 196646 | 0 | None | -77 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44288392 | 100369 | 0 | None | -1 | 2 | Golden hamster | 8.0 | pKi | = | 8 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 4.4 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL289758 | 100369 | 0 | None | -1 | 2 | Golden hamster | 8.0 | pKi | = | 8 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 4.4 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 4011 | 82408 | 49 | None | -13 | 24 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 82408 | 49 | None | -13 | 24 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 10026936 | 163458 | 0 | None | -114 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41994 | 163458 | 0 | None | -114 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 49783419 | 17749 | 0 | None | -4365 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| CHEMBL1258671 | 17749 | 0 | None | -4365 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| 11857791 | 85640 | 0 | None | -41 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228390 | 85640 | 0 | None | -41 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| 44300087 | 96421 | 0 | None | -199 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL262002 | 96421 | 0 | None | -199 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 44420412 | 84796 | 0 | None | -6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL223289 | 84796 | 0 | None | -6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 155513941 | 176278 | 0 | None | -58 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4439658 | 176278 | 0 | None | -58 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595078 | 176278 | 0 | None | -58 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 44207909 | 16699 | 3 | None | -3 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | |||
| CHEMBL1242923 | 16699 | 3 | None | -3 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | |||
| 44289089 | 164585 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.2 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42156 | 164585 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.2 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10221004 | 204231 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70973 | 204231 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 49781004 | 17213 | 0 | None | -77 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256502 | 17213 | 0 | None | -77 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 9867138 | 195792 | 0 | None | -2 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 425 | 7 | 0 | 4 | 4.1 | CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl | 10.1021/jm030944+ | |||
| CHEMBL55790 | 195792 | 0 | None | -2 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 425 | 7 | 0 | 4 | 4.1 | CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl | 10.1021/jm030944+ | |||
| 11857791 | 168997 | 0 | None | -30 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL439197 | 168997 | 0 | None | -30 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| 489 | 145 | 28 | None | -316 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 5640 | 145 | 28 | None | -316 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| CHEMBL420060 | 145 | 28 | None | -316 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 75201901 | 166425 | 19 | None | -676 | 24 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4277264 | 166425 | 19 | None | -676 | 24 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| 10815549 | 122014 | 0 | None | -234 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 9 | 0 | 5 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL359421 | 122014 | 0 | None | -234 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 9 | 0 | 5 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 44340835 | 10408 | 0 | None | -117 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 499 | 7 | 1 | 4 | 5.0 | O=C(c1ccc(Cl)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| CHEMBL116292 | 10408 | 0 | None | -117 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 499 | 7 | 1 | 4 | 5.0 | O=C(c1ccc(Cl)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/s0960-894x(02)00690-x | |||
| 10688604 | 24752 | 0 | None | -5 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| CHEMBL134428 | 24752 | 0 | None | -5 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| 44213782 | 10540 | 0 | None | -309 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL1169493 | 10540 | 0 | None | -309 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| 2520 | 204008 | 70 | None | -13 | 12 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| CHEMBL1280 | 204008 | 70 | None | -13 | 12 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| CHEMBL6966 | 204008 | 70 | None | -13 | 12 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| 2247 | 505 | 81 | None | -15 | 42 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 505 | 81 | None | -15 | 42 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 505 | 81 | None | -15 | 42 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 505 | 81 | None | -15 | 42 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 505 | 81 | None | -15 | 42 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 10622830 | 102426 | 0 | None | -7 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 437 | 6 | 1 | 6 | 3.2 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 | 10.1021/jm000541z | |||
| CHEMBL303988 | 102426 | 0 | None | -7 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 437 | 6 | 1 | 6 | 3.2 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 | 10.1021/jm000541z | |||
| CHEMBL4520788 | 213975 | 10 | None | -4 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | |||||
| 155542075 | 176619 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4520390 | 176619 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4597826 | 176619 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 44431615 | 88038 | 0 | None | -26 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 521 | 8 | 1 | 5 | 4.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234476 | 88038 | 0 | None | -26 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 521 | 8 | 1 | 5 | 4.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.008 | |||
| 162265 | 202274 | 22 | None | -5 | 43 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| 4786 | 202274 | 22 | None | -5 | 43 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL61006 | 202274 | 22 | None | -5 | 43 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| 10928161 | 4241 | 0 | None | -269 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.1 | CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1021/jm0307741 | |||
| CHEMBL100434 | 4241 | 0 | None | -269 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.1 | CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1021/jm0307741 | |||
| 162265 | 202274 | 22 | None | -5 | 43 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | |||
| 4786 | 202274 | 22 | None | -5 | 43 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | |||
| CHEMBL61006 | 202274 | 22 | None | -5 | 43 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | |||
| 71457264 | 82621 | 0 | None | -3 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 447 | 5 | 1 | 6 | 4.4 | COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1 | 10.1021/jm300955x | |||
| CHEMBL2179217 | 82621 | 0 | None | -3 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 447 | 5 | 1 | 6 | 4.4 | COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1 | 10.1021/jm300955x | |||
| 44288995 | 162884 | 0 | None | -39 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL417350 | 162884 | 0 | None | -39 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10297 | 27112 | 30 | None | -36 | 42 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | |||
| CHEMBL136560 | 27112 | 30 | None | -36 | 42 | Golden hamster | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | |||
| 16041092 | 95380 | 0 | None | -20 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256804 | 95380 | 0 | None | -20 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 102 | 4127 | 48 | None | -194 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 3659 | 4127 | 48 | None | -194 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 8969 | 4127 | 48 | None | -194 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| CHEMBL15245 | 4127 | 48 | None | -194 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| DB01392 | 4127 | 48 | None | -194 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 53328316 | 63391 | 0 | None | -4 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 449 | 9 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796036 | 63391 | 0 | None | -4 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 449 | 9 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 49781887 | 17144 | 0 | None | -32 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| CHEMBL1255617 | 17144 | 0 | None | -32 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| 44295044 | 101580 | 0 | None | -169 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 535 | 6 | 2 | 6 | 3.5 | N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL298579 | 101580 | 0 | None | -169 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 535 | 6 | 2 | 6 | 3.5 | N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 10696866 | 206933 | 0 | None | -6165 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 7 | 3 | 5 | 3.1 | N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL91091 | 206933 | 0 | None | -6165 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 7 | 3 | 5 | 3.1 | N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 1028 | 291 | 71 | None | -56 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 139148732 | 291 | 71 | None | -56 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 479 | 291 | 71 | None | -56 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 5816 | 291 | 71 | None | -56 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| CHEMBL679 | 291 | 71 | None | -56 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| DB00668 | 291 | 71 | None | -56 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 10579368 | 106004 | 0 | None | -4 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL313251 | 106004 | 0 | None | -4 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 10880840 | 11996 | 0 | None | -26 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 6 | 1 | 4 | 2.7 | c1ccc(OCCNCC2COC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL1183249 | 11996 | 0 | None | -26 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 6 | 1 | 4 | 2.7 | c1ccc(OCCNCC2COC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL5092747 | 215385 | 0 | None | -48 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | None | None | None | CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc3cc(C(=O)NCCCn4ccnc4)nn23)cc1 | 10.6019/CHEMBL5058647 | |||||
| CHEMBL5092747 | 215385 | 0 | None | -48 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | None | None | None | CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc3cc(C(=O)NCCCn4ccnc4)nn23)cc1 | 10.6019/CHEMBL5058647 | |||||
| 10414908 | 202764 | 0 | None | -204 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 539 | 7 | 0 | 4 | 5.9 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL62045 | 202764 | 0 | None | -204 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 539 | 7 | 0 | 4 | 5.9 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 15853467 | 208134 | 0 | None | -29 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL98063 | 208134 | 0 | None | -29 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 1042 | 1581 | 23 | None | -10 | 17 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | |||
| 148 | 1581 | 23 | None | -10 | 17 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | |||
| 443884 | 1581 | 23 | None | -10 | 17 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | |||
| CHEMBL119443 | 1581 | 23 | None | -10 | 17 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | |||
| DB01253 | 1581 | 23 | None | -10 | 17 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 4209 | 3163 | 75 | 3H-PRAZOSIN | -3 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 3H-PRAZOSIN | -3 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 3H-PRAZOSIN | -3 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 3H-PRAZOSIN | -3 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 3H-PRAZOSIN | -3 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 3H-PRAZOSIN | -3 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4209 | 3163 | 75 | 125I-HEAT | -3 | 33 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 125I-HEAT | -3 | 33 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 125I-HEAT | -3 | 33 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 125I-HEAT | -3 | 33 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 125I-HEAT | -3 | 33 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 125I-HEAT | -3 | 33 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4209 | 3163 | 75 | 3H-PRAZOSIN | 2 | 33 | Pig | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 3H-PRAZOSIN | 2 | 33 | Pig | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 3H-PRAZOSIN | 2 | 33 | Pig | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 3H-PRAZOSIN | 2 | 33 | Pig | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 3H-PRAZOSIN | 2 | 33 | Pig | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 3H-PRAZOSIN | 2 | 33 | Pig | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4209 | 3163 | 75 | UNDEFINED | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | UNDEFINED | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | UNDEFINED | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | UNDEFINED | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | UNDEFINED | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | UNDEFINED | -3 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4106 | 2502 | 22 | 3H-PRAZOSIN | -1 | 34 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | |||
| 5358812 | 2502 | 22 | 3H-PRAZOSIN | -1 | 34 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | |||
| 89 | 2502 | 22 | 3H-PRAZOSIN | -1 | 34 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | |||
| CHEMBL93240 | 2502 | 22 | 3H-PRAZOSIN | -1 | 34 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | |||
| 4209 | 3163 | 75 | 125I-HEAT | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 125I-HEAT | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 125I-HEAT | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 125I-HEAT | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 125I-HEAT | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 125I-HEAT | -4 | 33 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 129211 | 3749 | 78 | 3H-PRAZOSIN | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 3749 | 78 | 3H-PRAZOSIN | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 3749 | 78 | 3H-PRAZOSIN | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 3749 | 78 | 3H-PRAZOSIN | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 3749 | 78 | 3H-PRAZOSIN | -13 | 15 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 4209 | 3163 | 75 | 125I-BE2254 | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 125I-BE2254 | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 125I-BE2254 | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 125I-BE2254 | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 125I-BE2254 | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 125I-BE2254 | -3 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 115237 | 55585 | 119 | 3H-PRAZOSIN | -10 | 54 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 55585 | 119 | 3H-PRAZOSIN | -10 | 54 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 2726 | 919 | 68 | 125I-HEAT | -1 | 72 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | 125I-HEAT | -1 | 72 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | 125I-HEAT | -1 | 72 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | 125I-HEAT | -1 | 72 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | 125I-HEAT | -1 | 72 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 3157 | 1470 | 71 | UNDEFINED | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 7170 | 1470 | 71 | UNDEFINED | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 954 | 1470 | 71 | UNDEFINED | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| CHEMBL707 | 1470 | 71 | UNDEFINED | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| DB00590 | 1470 | 71 | UNDEFINED | -1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 3584 | 3777 | 64 | 3H-PRAZOSIN | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 3777 | 64 | 3H-PRAZOSIN | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 3777 | 64 | 3H-PRAZOSIN | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 3777 | 64 | 3H-PRAZOSIN | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 3777 | 64 | 3H-PRAZOSIN | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 31101 | 729 | 40 | 3H-PRAZOSIN | -5 | 36 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 729 | 40 | 3H-PRAZOSIN | -5 | 36 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 729 | 40 | 3H-PRAZOSIN | -5 | 36 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 729 | 40 | 3H-PRAZOSIN | -5 | 36 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 729 | 40 | 3H-PRAZOSIN | -5 | 36 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 4209 | 3163 | 75 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 115 | 343 | 71 | UNDEFINED | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 2092 | 343 | 71 | UNDEFINED | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 7109 | 343 | 71 | UNDEFINED | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| CHEMBL709 | 343 | 71 | UNDEFINED | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| DB00346 | 343 | 71 | UNDEFINED | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 202 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 60835 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 972 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| CHEMBL1175 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| DB00476 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 41 | 1659 | 0 | 3H-PRAZOSIN | -794 | 17 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| 72036 | 1659 | 0 | 3H-PRAZOSIN | -794 | 17 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| CHEMBL1765294 | 1659 | 0 | 3H-PRAZOSIN | -794 | 17 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| 5656 | 203066 | 87 | UNDEFINED | -7 | 40 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
| CHEMBL637 | 203066 | 87 | UNDEFINED | -7 | 40 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
| 54841 | 203127 | 52 | UNDEFINED | -1 | 27 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | |||
| CHEMBL641 | 203127 | 52 | UNDEFINED | -1 | 27 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | |||
| 1862 | 161 | 18 | UNDEFINED | -10 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | None | |||
| 510 | 161 | 18 | UNDEFINED | -10 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | None | |||
| CHEMBL281232 | 161 | 18 | UNDEFINED | -10 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | None | |||
| 179 | 400 | 115 | 125I-HEAT | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 179 | 400 | 115 | 3H-PRAZOSIN | -4365 | 49 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 2159 | 400 | 115 | 125I-HEAT | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 2159 | 400 | 115 | 3H-PRAZOSIN | -4365 | 49 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 963 | 400 | 115 | 125I-HEAT | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 963 | 400 | 115 | 3H-PRAZOSIN | -4365 | 49 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| CHEMBL243712 | 400 | 115 | 125I-HEAT | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| CHEMBL243712 | 400 | 115 | 3H-PRAZOSIN | -4365 | 49 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| DB06288 | 400 | 115 | 125I-HEAT | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| DB06288 | 400 | 115 | 3H-PRAZOSIN | -4365 | 49 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 1753 | 2504 | 28 | 125I-HEAT | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 483 | 2504 | 28 | 125I-HEAT | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 6082 | 2504 | 28 | 125I-HEAT | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| CHEMBL524 | 2504 | 28 | 125I-HEAT | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| DB00723 | 2504 | 28 | 125I-HEAT | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 134 | 2514 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 1775 | 2514 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 9681 | 2514 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| CHEMBL1065 | 2514 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| DB00247 | 2514 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 484 | 2858 | 51 | UNDEFINED | -10 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 484 | 2858 | 51 | 125I-HEAT | -24 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 2858 | 51 | UNDEFINED | -10 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 2858 | 51 | 125I-HEAT | -24 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 2858 | 51 | UNDEFINED | -10 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 2858 | 51 | 125I-HEAT | -24 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 15897 | 2862 | 0 | 125I-HEAT | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 215 | 2862 | 0 | 125I-HEAT | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| CHEMBL1979333 | 2862 | 0 | 125I-HEAT | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 119570 | 3159 | 96 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2233 | 3159 | 96 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 953 | 3159 | 96 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| CHEMBL301265 | 3159 | 96 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| DB00413 | 3159 | 96 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2 | 3261 | 23 | 3H-PRAZOSIN | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| 54562 | 3261 | 23 | 3H-PRAZOSIN | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| CHEMBL240773 | 3261 | 23 | 3H-PRAZOSIN | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| 2402 | 3370 | 62 | 3H-PRAZOSIN | -660 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 5095 | 3370 | 62 | 3H-PRAZOSIN | -660 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 7295 | 3370 | 62 | 3H-PRAZOSIN | -660 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| CHEMBL589 | 3370 | 62 | 3H-PRAZOSIN | -660 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| DB00268 | 3370 | 62 | 3H-PRAZOSIN | -660 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 128563 | 3464 | 33 | 125I-HEAT | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
| 1666 | 3464 | 33 | 125I-HEAT | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
| CHEMBL445332 | 3464 | 33 | 125I-HEAT | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
| DB12327 | 3464 | 33 | 125I-HEAT | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
| 6917970 | 3691 | 61 | 3H-PRAZOSIN | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| 8370 | 3691 | 61 | 3H-PRAZOSIN | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| CHEMBL487387 | 3691 | 61 | 3H-PRAZOSIN | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| 2662 | 11384 | 131 | 3H-PRAZOSIN | -41 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | |||
| CHEMBL118 | 11384 | 131 | 3H-PRAZOSIN | -41 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | |||
| 5090 | 15561 | 106 | 3H-PRAZOSIN | -1348 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| CHEMBL122 | 15561 | 106 | 3H-PRAZOSIN | -1348 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| 10297 | 27112 | 30 | 125I-HEAT | -38 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
| CHEMBL136560 | 27112 | 30 | 125I-HEAT | -38 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
| 156391 | 46800 | 99 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| CHEMBL1200806 | 46800 | 99 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| CHEMBL154 | 46800 | 99 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| 10624 | 70300 | 19 | 125I-HEAT | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| 138543650 | 70300 | 19 | 125I-HEAT | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| CHEMBL194378 | 70300 | 19 | 125I-HEAT | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| 2244 | 94233 | 100 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | |||
| CHEMBL25 | 94233 | 100 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | |||
| 3663 | 99967 | 83 | 3H-PRAZOSIN | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | |||
| CHEMBL286494 | 99967 | 83 | 3H-PRAZOSIN | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | |||
| 446220 | 133521 | 14 | 125I-HEAT | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | |||
| CHEMBL370805 | 133521 | 14 | 125I-HEAT | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | |||
| 1615 | 167791 | 24 | 125I-HEAT | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL43048 | 167791 | 24 | 125I-HEAT | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| 5280343 | 188275 | 124 | 3H-PRAZOSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL1520590 | 188275 | 124 | 3H-PRAZOSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL50 | 188275 | 124 | 3H-PRAZOSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| 3672 | 192533 | 136 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | |||
| CHEMBL521 | 192533 | 136 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | |||
| 54676228 | 193615 | 112 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | |||
| CHEMBL527 | 193615 | 112 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | |||
| 4495 | 196535 | 92 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | |||
| CHEMBL56367 | 196535 | 92 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | |||
| 54677470 | 200551 | 115 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| CHEMBL1256873 | 200551 | 115 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| CHEMBL599 | 200551 | 115 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| 162265 | 202274 | 22 | 125I-HEAT | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 202274 | 22 | 125I-HEAT | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 202274 | 22 | 125I-HEAT | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 5281600 | 203025 | 92 | 3H-PRAZOSIN | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL63354 | 203025 | 92 | 3H-PRAZOSIN | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | |||
| 202478 | 204687 | 20 | 125I-HEAT | -97 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | |||
| CHEMBL7393 | 204687 | 20 | 125I-HEAT | -97 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | |||
| 5311189 | 204841 | 11 | 125I-HEAT | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | |||
| CHEMBL7549 | 204841 | 11 | 125I-HEAT | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | |||
| 4158 | 205341 | 21 | 125I-HEAT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| CHEMBL1722 | 205341 | 21 | 125I-HEAT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| CHEMBL796 | 205341 | 21 | 125I-HEAT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| 4054 | 205501 | 72 | 125I-HEAT | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| CHEMBL1699 | 205501 | 72 | 125I-HEAT | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| CHEMBL807 | 205501 | 72 | 125I-HEAT | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| 119607 | 206203 | 113 | 3H-PRAZOSIN | -97 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | |||
| CHEMBL865 | 206203 | 113 | 3H-PRAZOSIN | -97 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | |||
| 3337 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 11954224 | 215953 | 0 | 125I-HEAT | -141253 | 58 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
| None | 215993 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | |||
| None | 216027 | 0 | 3H-PRAZOSIN | -10 | 12 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 453 | 9 | 2 | 6 | 2.6 | COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N.Cl | None | |||
| 6102 | 216042 | 0 | 125I-HEAT | 1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNCC(C1=CC(=CC=C1)O)O | None | |||
| 6102 | 216042 | 0 | 125I-HEAT | -1 | 3 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNCC(C1=CC(=CC=C1)O)O | None | |||
| 25137849 | 216179 | 0 | 125I-HEAT | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| 71290 | 216179 | 0 | 125I-HEAT | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| None | 216311 | 0 | 125I-HEAT | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | |||
| None | 216312 | 0 | 125I-HEAT | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | |||
| None | 216313 | 0 | 125I-HEAT | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | |||
| None | 216314 | 0 | 125I-HEAT | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | |||
| None | 216315 | 0 | 125I-HEAT | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | |||
| None | 216316 | 0 | 125I-HEAT | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | |||
| None | 216317 | 0 | 125I-HEAT | -1 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | |||
| None | 216318 | 0 | 125I-HEAT | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | |||
| None | 216325 | 0 | 125I-HEAT | -13 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | |||
| 1576 | 216326 | 0 | 125I-HEAT | -16 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | |||
| None | 216327 | 0 | 3H-PRAZOSIN | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | |||
| 4978 | 216328 | 0 | 3H-PRAZOSIN | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | |||
| None | 216329 | 0 | 3H-PRAZOSIN | -3 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | |||
| None | 216330 | 0 | 3H-PRAZOSIN | -281 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | |||
| None | 216331 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | |||
| None | 216342 | 0 | 3H-PRAZOSIN | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | |||
| 135269 | 216389 | 0 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | |||
| 23681059 | 216390 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | |||
| 5018304 | 216391 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | |||
| 84003 | 216392 | 0 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | |||
| 123619 | 216393 | 0 | 3H-PRAZOSIN | -1412 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | |||
| 119828 | 216394 | 0 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | |||
| None | 216395 | 0 | 3H-PRAZOSIN | -7 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | |||
| None | 216489 | 0 | 3H-PRAZOSIN | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16040907 | 97883 | 0 | UNDEFINED | -4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL272340 | 97883 | 0 | UNDEFINED | -4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041449 | 95220 | 0 | UNDEFINED | -19 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| CHEMBL256040 | 95220 | 0 | UNDEFINED | -19 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 489 | 145 | 28 | 3H-PRAZOSIN | -257 | 12 | Pig | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| 5640 | 145 | 28 | 3H-PRAZOSIN | -257 | 12 | Pig | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| CHEMBL420060 | 145 | 28 | 3H-PRAZOSIN | -257 | 12 | Pig | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 183782 | 3398 | 20 | 3H-PRAZOSIN | -218 | 13 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 237 | 3398 | 20 | 3H-PRAZOSIN | -218 | 13 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| CHEMBL85251 | 3398 | 20 | 3H-PRAZOSIN | -218 | 13 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1212 | 1662 | 50 | 125I-HEAT | -20 | 65 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | 125I-HEAT | -20 | 65 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | 125I-HEAT | -20 | 65 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | 125I-HEAT | -20 | 65 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | 125I-HEAT | -20 | 65 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 3337 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 206367 | 27 | 125I-HEAT | -32 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 100 | 3805 | 58 | 3H-PRAZOSIN | -7 | 55 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | 3H-PRAZOSIN | -7 | 55 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | 3H-PRAZOSIN | -7 | 55 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | 3H-PRAZOSIN | -7 | 55 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | 3H-PRAZOSIN | -7 | 55 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 186 | 1807 | 52 | 125I-HEAT | -263 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| 71781 | 1807 | 52 | 125I-HEAT | -263 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| CHEMBL18972 | 1807 | 52 | 125I-HEAT | -263 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| 102 | 4127 | 48 | 3H-PRAZOSIN | -194 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 3H-PRAZOSIN | -194 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 3H-PRAZOSIN | -194 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 3H-PRAZOSIN | -194 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 3H-PRAZOSIN | -194 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 124 | 2981 | 47 | 3H-PRAZOSIN | -229 | 33 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | 3H-PRAZOSIN | -229 | 33 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | 3H-PRAZOSIN | -229 | 33 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | 3H-PRAZOSIN | -229 | 33 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | 3H-PRAZOSIN | -229 | 33 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 3652 | 4097 | 79 | 3H-PRAZOSIN | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 57 | 4097 | 79 | 3H-PRAZOSIN | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 60809 | 4097 | 79 | 3H-PRAZOSIN | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| CHEMBL21536 | 4097 | 79 | 3H-PRAZOSIN | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| DB15357 | 4097 | 79 | 3H-PRAZOSIN | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 1588 | 2325 | 27 | 3H-PRAZOSIN | -32 | 44 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 28864 | 2325 | 27 | 3H-PRAZOSIN | -32 | 44 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 43 | 2325 | 27 | 3H-PRAZOSIN | -32 | 44 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL157138 | 2325 | 27 | 3H-PRAZOSIN | -32 | 44 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB00589 | 2325 | 27 | 3H-PRAZOSIN | -32 | 44 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 1753 | 2504 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 483 | 2504 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 6082 | 2504 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| CHEMBL524 | 2504 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| DB00723 | 2504 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2142 | 3096 | 58 | 125I-HEAT | -7 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | 125I-HEAT | -7 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | 125I-HEAT | -7 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | 125I-HEAT | -7 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | 125I-HEAT | -7 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | 125I-HEAT | -7 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 489 | 145 | 28 | 125I-HEAT | -316 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| 5640 | 145 | 28 | 125I-HEAT | -316 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| CHEMBL420060 | 145 | 28 | 125I-HEAT | -316 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 129211 | 3749 | 78 | UNDEFINED | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 3749 | 78 | UNDEFINED | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 3749 | 78 | UNDEFINED | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 3749 | 78 | UNDEFINED | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 3749 | 78 | UNDEFINED | -13 | 15 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 3584 | 3777 | 64 | UNDEFINED | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 3777 | 64 | UNDEFINED | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 3777 | 64 | UNDEFINED | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 3777 | 64 | UNDEFINED | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 3777 | 64 | UNDEFINED | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| None | 215958 | 0 | 3H-PRAZOSIN | -15 | 19 | Pig | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 100 | 3805 | 58 | 125I-HEAT | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | 125I-HEAT | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | 125I-HEAT | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | 125I-HEAT | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | 125I-HEAT | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| None | 215958 | 0 | UNDEFINED | -22 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 219050 | 3373 | 25 | 3H-PRAZOSIN | -17 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| 52 | 3373 | 25 | 3H-PRAZOSIN | -17 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| CHEMBL431367 | 3373 | 25 | 3H-PRAZOSIN | -17 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041451 | 97808 | 0 | UNDEFINED | -12 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL271913 | 97808 | 0 | UNDEFINED | -12 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| 16041090 | 95393 | 0 | UNDEFINED | -5 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| CHEMBL256853 | 95393 | 0 | UNDEFINED | -5 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16040907 | 97883 | 0 | UNDEFINED | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL272340 | 97883 | 0 | UNDEFINED | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| 1443 | 2028 | 34 | 125I-HEAT | -46 | 10 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 33625 | 2028 | 34 | 125I-HEAT | -46 | 10 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 501 | 2028 | 34 | 125I-HEAT | -46 | 10 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| CHEMBL279516 | 2028 | 34 | 125I-HEAT | -46 | 10 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| DB08950 | 2028 | 34 | 125I-HEAT | -46 | 10 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 102 | 4127 | 48 | 125I-BE2254 | -194 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 125I-BE2254 | -194 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 125I-BE2254 | -194 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 125I-BE2254 | -194 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 125I-BE2254 | -194 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 126225 | 94976 | 5 | 3H-PRAZOSIN | -12 | 8 | Pig | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | |||
| CHEMBL25467 | 94976 | 5 | 3H-PRAZOSIN | -12 | 8 | Pig | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | |||
| None | 216242 | 0 | 3H-PRAZOSIN | -66 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 555 | 7 | 1 | 9 | 4.3 | COC1=CC=CC2=C1C3CN(CC3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 484 | 2858 | 51 | 3H-PRAZOSIN | -6 | 35 | Pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 2858 | 51 | 3H-PRAZOSIN | -6 | 35 | Pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 2858 | 51 | 3H-PRAZOSIN | -6 | 35 | Pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041629 | 95446 | 0 | UNDEFINED | -14 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| CHEMBL257097 | 95446 | 0 | UNDEFINED | -14 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 135398745 | 2914 | 112 | 125I-HEAT | -61 | 65 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | 125I-HEAT | -61 | 65 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | 125I-HEAT | -61 | 65 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | 125I-HEAT | -61 | 65 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041264 | 95443 | 0 | UNDEFINED | -17 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| CHEMBL257077 | 95443 | 0 | UNDEFINED | -17 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 215958 | 0 | 125I-HEAT | -181 | 19 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 16041265 | 95337 | 0 | UNDEFINED | -14 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| CHEMBL256597 | 95337 | 0 | UNDEFINED | -14 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| 16041630 | 97547 | 0 | UNDEFINED | -14 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| CHEMBL270589 | 97547 | 0 | UNDEFINED | -14 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2470 | 3653 | 50 | 3H-PRAZOSIN | -102 | 59 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3300 | 3653 | 50 | 3H-PRAZOSIN | -102 | 59 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 5265 | 3653 | 50 | 3H-PRAZOSIN | -102 | 59 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 99 | 3653 | 50 | 3H-PRAZOSIN | -102 | 59 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL267930 | 3653 | 50 | 3H-PRAZOSIN | -102 | 59 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 135398737 | 958 | 93 | 3H-PRAZOSIN | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-PRAZOSIN | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-PRAZOSIN | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-PRAZOSIN | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-PRAZOSIN | -3 | 89 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2389 | 3331 | 118 | 3H-PRAZOSIN | -8 | 67 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | 3H-PRAZOSIN | -8 | 67 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | 3H-PRAZOSIN | -8 | 67 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | 3H-PRAZOSIN | -8 | 67 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | 3H-PRAZOSIN | -8 | 67 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| None | 215958 | 0 | 3H-PRAZOSIN | -15 | 19 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 46780481 | 107531 | 20 | 3H-PRAZOSIN | -33 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 107531 | 20 | 3H-PRAZOSIN | -33 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 107531 | 20 | 3H-PRAZOSIN | -33 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3544974 | 107531 | 20 | 3H-PRAZOSIN | -33 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 126225 | 94976 | 5 | 3H-PRAZOSIN | -12 | 8 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | |||
| CHEMBL25467 | 94976 | 5 | 3H-PRAZOSIN | -12 | 8 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | |||
| 2803 | 955 | 58 | 3H-PRAZOSIN | -2 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 2803 | 955 | 58 | 3H-PRAZOSIN | -7 | 19 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 955 | 58 | 3H-PRAZOSIN | -2 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 955 | 58 | 3H-PRAZOSIN | -7 | 19 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 955 | 58 | 3H-PRAZOSIN | -2 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 955 | 58 | 3H-PRAZOSIN | -7 | 19 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 955 | 58 | 3H-PRAZOSIN | -2 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 955 | 58 | 3H-PRAZOSIN | -7 | 19 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 955 | 58 | 3H-PRAZOSIN | -2 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 955 | 58 | 3H-PRAZOSIN | -7 | 19 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 68602 | 205126 | 80 | 3H-PRAZOSIN | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| 68602 | 205126 | 80 | 3H-PRAZOSIN | -93 | 7 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| CHEMBL77921 | 205126 | 80 | 3H-PRAZOSIN | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| CHEMBL77921 | 205126 | 80 | 3H-PRAZOSIN | -93 | 7 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| None | 216241 | 0 | 3H-PRAZOSIN | -6 | 4 | Pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | |||
| 104911 | 216019 | 0 | 3H-PRAZOSIN | -1949 | 37 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 242 | 470 | 124 | 125I-HEAT | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 470 | 124 | 125I-HEAT | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 470 | 124 | 125I-HEAT | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 470 | 124 | 125I-HEAT | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 470 | 124 | 125I-HEAT | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 2601 | 3780 | 33 | 3H-PRAZOSIN | -18 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 443951 | 3780 | 33 | 3H-PRAZOSIN | -18 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 56 | 3780 | 33 | 3H-PRAZOSIN | -18 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL73151 | 3780 | 33 | 3H-PRAZOSIN | -18 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB13399 | 3780 | 33 | 3H-PRAZOSIN | -18 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 242 | 470 | 124 | 3H-PRAZOSIN | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 470 | 124 | 3H-PRAZOSIN | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 470 | 124 | 3H-PRAZOSIN | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 470 | 124 | 3H-PRAZOSIN | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 470 | 124 | 3H-PRAZOSIN | -21 | 51 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 2142 | 3096 | 58 | 125I-HEAT | -18 | 36 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | 125I-HEAT | -18 | 36 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | 125I-HEAT | -18 | 36 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | 125I-HEAT | -18 | 36 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | 125I-HEAT | -18 | 36 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | 125I-HEAT | -18 | 36 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 11954259 | 215979 | 0 | 125I-HEAT | -114 | 43 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041630 | 97547 | 0 | UNDEFINED | -14 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| CHEMBL270589 | 97547 | 0 | UNDEFINED | -14 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| 16041629 | 95446 | 0 | UNDEFINED | -14 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| CHEMBL257097 | 95446 | 0 | UNDEFINED | -14 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041263 | 95447 | 0 | UNDEFINED | -8 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| CHEMBL257098 | 95447 | 0 | UNDEFINED | -8 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| 124 | 2981 | 47 | 125I-HEAT | -338 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | 125I-HEAT | -338 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | 125I-HEAT | -338 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | 125I-HEAT | -338 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | 125I-HEAT | -338 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 104870 | 98880 | 47 | 3H-PRAZOSIN | -7 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 5374 | 98880 | 47 | 3H-PRAZOSIN | -7 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| CHEMBL279085 | 98880 | 47 | 3H-PRAZOSIN | -7 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 2337 | 3256 | 77 | 125I-HEAT | -3 | 62 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 3256 | 77 | 125I-HEAT | -3 | 62 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 3256 | 77 | 125I-HEAT | -3 | 62 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 3256 | 77 | 125I-HEAT | -3 | 62 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 3256 | 77 | 125I-HEAT | -3 | 62 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 16041263 | 95447 | 0 | UNDEFINED | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| CHEMBL257098 | 95447 | 0 | UNDEFINED | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| 135398737 | 958 | 93 | 3H-PRAZOSIN | -16 | 89 | Pig | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-PRAZOSIN | -16 | 89 | Pig | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-PRAZOSIN | -16 | 89 | Pig | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-PRAZOSIN | -16 | 89 | Pig | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-PRAZOSIN | -16 | 89 | Pig | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1753 | 2504 | 28 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 483 | 2504 | 28 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 6082 | 2504 | 28 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| CHEMBL524 | 2504 | 28 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| DB00723 | 2504 | 28 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 1960 | 2857 | 67 | None | -199 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 2857 | 67 | None | -199 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 2857 | 67 | None | -199 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 2857 | 67 | None | -199 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 2857 | 67 | None | -199 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 3823 | 50221 | 42 | None | -51 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 76973198 | 50221 | 42 | None | -51 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| CHEMBL157101 | 50221 | 42 | None | -51 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 489 | 145 | 28 | UNDEFINED | -316 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| 5640 | 145 | 28 | UNDEFINED | -316 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| CHEMBL420060 | 145 | 28 | UNDEFINED | -316 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 172745 | 100123 | 7 | UNDEFINED | -28 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | None | |||
| CHEMBL287587 | 100123 | 7 | UNDEFINED | -28 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 185 | 4006 | 60 | 125I-HEAT | -1318 | 37 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| 185 | 4006 | 60 | 3H-PRAZOSIN | -1318 | 37 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| 5311271 | 4006 | 60 | 125I-HEAT | -1318 | 37 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| 5311271 | 4006 | 60 | 3H-PRAZOSIN | -1318 | 37 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| CHEMBL74355 | 4006 | 60 | 125I-HEAT | -1318 | 37 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| CHEMBL74355 | 4006 | 60 | 3H-PRAZOSIN | -1318 | 37 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| DB16351 | 4006 | 60 | 125I-HEAT | -1318 | 37 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| DB16351 | 4006 | 60 | 3H-PRAZOSIN | -1318 | 37 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216241 | 0 | 125I-BE2254 | -8 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | |||
| None | 216239 | 0 | 125I-HEAT | -16982 | 30 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | |||
| 1028 | 291 | 71 | 125I-HEAT | -56 | 30 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 291 | 71 | 125I-HEAT | -56 | 30 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 291 | 71 | 125I-HEAT | -56 | 30 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 291 | 71 | 125I-HEAT | -56 | 30 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 291 | 71 | 125I-HEAT | -56 | 30 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 291 | 71 | 125I-HEAT | -56 | 30 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 60820 | 4308 | 14 | UNDEFINED | -2344 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | None | |||
| CHEMBL10085 | 4308 | 14 | UNDEFINED | -2344 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041090 | 95393 | 0 | UNDEFINED | -5 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| CHEMBL256853 | 95393 | 0 | UNDEFINED | -5 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| 16041628 | 155350 | 0 | UNDEFINED | -38 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| CHEMBL403280 | 155350 | 0 | UNDEFINED | -38 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| 16041449 | 95220 | 0 | UNDEFINED | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| CHEMBL256040 | 95220 | 0 | UNDEFINED | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 103 | 4153 | 61 | 125I-HEAT | -5 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 4153 | 61 | 125I-HEAT | -5 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 4153 | 61 | 125I-HEAT | -5 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 4153 | 61 | 125I-HEAT | -5 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 4153 | 61 | 125I-HEAT | -5 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2470 | 3653 | 50 | 3H-PRAZOSIN | -151 | 59 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3300 | 3653 | 50 | 3H-PRAZOSIN | -151 | 59 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 5265 | 3653 | 50 | 3H-PRAZOSIN | -151 | 59 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 99 | 3653 | 50 | 3H-PRAZOSIN | -151 | 59 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL267930 | 3653 | 50 | 3H-PRAZOSIN | -151 | 59 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 162265 | 202274 | 22 | None | -5 | 43 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 202274 | 22 | None | -5 | 43 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 202274 | 22 | None | -5 | 43 | Golden hamster | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 1210 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 1213 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 2725 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 33036 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 4411 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 616 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 6976 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 716121 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1201353 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1554789 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL505 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB01114 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB13679 | 918 | 51 | None | -436 | 21 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 2162 | 41514 | 100 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | |||
| CHEMBL1491 | 41514 | 100 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | |||
| 441383 | 20333 | 57 | None | -9 | 16 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| CHEMBL1306 | 20333 | 57 | None | -9 | 16 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 4508 | 3139 | 98 | None | -43 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 4866774 | 3139 | 98 | None | -43 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 509 | 3139 | 98 | None | -43 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 838 | 3139 | 98 | None | -43 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1740 | 3139 | 98 | None | -43 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| None | 215958 | 0 | 125I-HEAT | -22 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 2202 | 3132 | 96 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 4850 | 3132 | 96 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 49 | 3132 | 96 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL1371770 | 3132 | 96 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| DB12478 | 3132 | 96 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 2435 | 722 | 100 | None | -28 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 395 | 722 | 100 | None | -28 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 520 | 722 | 100 | None | -28 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 5386 | 722 | 100 | None | -28 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| CHEMBL844 | 722 | 100 | None | -28 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| DB00484 | 722 | 100 | None | -28 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 104870 | 98880 | 47 | None | -7 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 5374 | 98880 | 47 | None | -7 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| CHEMBL279085 | 98880 | 47 | None | -7 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 3055 | 1433 | 44 | None | -1 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| 313 | 1433 | 44 | None | -1 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| 7163 | 1433 | 44 | None | -1 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| CHEMBL936 | 1433 | 44 | None | -1 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| DB01231 | 1433 | 44 | None | -1 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| 1548955 | 88581 | 20 | None | -1 | 18 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| 2800 | 88581 | 20 | None | -1 | 18 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| CHEMBL2355051 | 88581 | 20 | None | -1 | 18 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| 124087 | 1389 | 114 | None | -39 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 7157 | 1389 | 114 | None | -39 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 814 | 1389 | 114 | None | -39 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| CHEMBL1172 | 1389 | 114 | None | -39 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| DB00967 | 1389 | 114 | None | -39 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 11057 | 176149 | 23 | None | -3 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| 3468 | 176149 | 23 | None | -3 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| CHEMBL459265 | 176149 | 23 | None | -3 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| CHEMBL64894 | 176149 | 23 | None | -3 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| 237 | 204865 | 48 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL546257 | 204865 | 48 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL554190 | 204865 | 48 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL7568 | 204865 | 48 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| 2600 | 3779 | 74 | None | -8 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| 2608 | 3779 | 74 | None | -8 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| 5405 | 3779 | 74 | None | -8 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| CHEMBL17157 | 3779 | 74 | None | -8 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| DB00342 | 3779 | 74 | None | -8 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| 2771 | 195017 | 74 | None | -1 | 27 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| CHEMBL1200781 | 195017 | 74 | None | -1 | 27 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| CHEMBL549 | 195017 | 74 | None | -1 | 27 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| 3652 | 4097 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 57 | 4097 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 60809 | 4097 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| CHEMBL21536 | 4097 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| DB15357 | 4097 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 2351 | 3286 | 64 | None | -14 | 21 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 2820 | 3286 | 64 | None | -14 | 21 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 5035 | 3286 | 64 | None | -14 | 21 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| CHEMBL81 | 3286 | 64 | None | -14 | 21 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| DB00481 | 3286 | 64 | None | -14 | 21 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 2105 | 3054 | 37 | None | -147 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 47811 | 3054 | 37 | None | -147 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 48 | 3054 | 37 | None | -147 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| CHEMBL531 | 3054 | 37 | None | -147 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| DB01186 | 3054 | 37 | None | -147 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 2291 | 3184 | 58 | None | -16 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 2561 | 3184 | 58 | None | -16 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 4932 | 3184 | 58 | None | -16 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| CHEMBL631 | 3184 | 58 | None | -16 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| DB01182 | 3184 | 58 | None | -16 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 6726 | 1280 | 51 | None | -16 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 7151 | 1280 | 51 | None | -16 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 749 | 1280 | 51 | None | -16 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL648 | 1280 | 51 | None | -16 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| DB01176 | 1280 | 51 | None | -16 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 2146 | 3100 | 67 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 485 | 3100 | 67 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 6041 | 3100 | 67 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| CHEMBL1215 | 3100 | 67 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| DB00388 | 3100 | 67 | None | -1 | 9 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 10219 | 188796 | 37 | None | -14 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| CHEMBL493439 | 188796 | 37 | None | -14 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| CHEMBL50588 | 188796 | 37 | None | -14 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| 2803 | 955 | 58 | None | -7 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 955 | 58 | None | -7 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 955 | 58 | None | -7 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 955 | 58 | None | -7 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 955 | 58 | None | -7 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 16041265 | 95337 | 0 | UNDEFINED | -14 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| CHEMBL256597 | 95337 | 0 | UNDEFINED | -14 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| 138107169 | 215952 | 0 | 125I-HEAT | -1380 | 22 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 125I-HEAT | -1380 | 22 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 1613 | 2348 | 53 | 125I-HEAT | -5 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 2348 | 53 | 125I-HEAT | -5 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 2348 | 53 | 125I-HEAT | -5 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 2348 | 53 | 125I-HEAT | -5 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 2348 | 53 | 125I-HEAT | -5 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1028 | 291 | 71 | None | -56 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 291 | 71 | None | -56 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 291 | 71 | None | -56 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 291 | 71 | None | -56 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 291 | 71 | None | -56 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 291 | 71 | None | -56 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 2520 | 204008 | 70 | None | -13 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| CHEMBL1280 | 204008 | 70 | None | -13 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| CHEMBL6966 | 204008 | 70 | None | -13 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| 135398744 | 68662 | 86 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 474 | 7 | 1 | 8 | 1.6 | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | None | |||
| CHEMBL192 | 68662 | 86 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 474 | 7 | 1 | 8 | 1.6 | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | None | |||
| 3952 | 1888 | 38 | None | -11 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5353646 | 1888 | 38 | None | -11 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5443 | 1888 | 38 | None | -11 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5702063 | 1888 | 38 | None | -11 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| CHEMBL1331786 | 1888 | 38 | None | -11 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| CHEMBL420 | 1888 | 38 | None | -11 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 124 | 2981 | 47 | None | -218 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | None | -218 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | None | -218 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | None | -218 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | None | -218 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 102 | 4127 | 48 | None | -158 | 49 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | None | -158 | 49 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | None | -158 | 49 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | None | -158 | 49 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | None | -158 | 49 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 12488 | 1657 | 56 | None | -10 | 23 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 941361 | 1657 | 56 | None | -10 | 23 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| CHEMBL30008 | 1657 | 56 | None | -10 | 23 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| DB04841 | 1657 | 56 | None | -10 | 23 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 139592915 | 3374 | 35 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | |||
| 1465 | 3374 | 35 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | |||
| 2410 | 3374 | 35 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | |||
| 6915744 | 3374 | 35 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | |||
| CHEMBL1214185 | 3374 | 35 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | |||
| DB00778 | 3374 | 35 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | |||
| 1599 | 2341 | 50 | None | -70 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 3955 | 2341 | 50 | None | -70 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 7215 | 2341 | 50 | None | -70 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL841 | 2341 | 50 | None | -70 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| DB00836 | 2341 | 50 | None | -70 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 4735 | 195115 | 96 | None | -9 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| CHEMBL361506 | 195115 | 96 | None | -9 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| CHEMBL55 | 195115 | 96 | None | -9 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| 3151 | 1462 | 97 | None | -8 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 945 | 1462 | 97 | None | -8 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 965 | 1462 | 97 | None | -8 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| CHEMBL219916 | 1462 | 97 | None | -8 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| DB01184 | 1462 | 97 | None | -8 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 1547484 | 940 | 74 | None | -9 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 654 | 940 | 74 | None | -9 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 9072 | 940 | 74 | None | -9 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL43064 | 940 | 74 | None | -9 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| DB00568 | 940 | 74 | None | -9 | 20 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 463 | 1405 | 22 | None | -5 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 6918097 | 1405 | 22 | None | -5 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 837 | 1405 | 22 | None | -5 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| CHEMBL2051956 | 1405 | 22 | None | -5 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| DB14068 | 1405 | 22 | None | -5 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 68617 | 205527 | 62 | None | -6 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| CHEMBL1709 | 205527 | 62 | None | -6 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| CHEMBL809 | 205527 | 62 | None | -6 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| 1531 | 2266 | 69 | None | -6 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 3869 | 2266 | 69 | None | -6 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 7207 | 2266 | 69 | None | -6 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| CHEMBL429 | 2266 | 69 | None | -6 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| DB00598 | 2266 | 69 | None | -6 | 16 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 1028 | 291 | 71 | None | -54 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 291 | 71 | None | -54 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 291 | 71 | None | -54 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 291 | 71 | None | -54 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 291 | 71 | None | -54 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 291 | 71 | None | -54 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 2803 | 955 | 58 | None | -2 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 955 | 58 | None | -2 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 955 | 58 | None | -2 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 955 | 58 | None | -2 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 955 | 58 | None | -2 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 124 | 2981 | 47 | None | -338 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | None | -338 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | None | -338 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | None | -338 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | None | -338 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 1960 | 2857 | 67 | None | -8 | 26 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 2857 | 67 | None | -8 | 26 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 2857 | 67 | None | -8 | 26 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 2857 | 67 | None | -8 | 26 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 2857 | 67 | None | -8 | 26 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 135398745 | 2914 | 112 | None | -61 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | None | -61 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | None | -61 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | None | -61 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 3191 | 102858 | 97 | None | -7 | 25 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| CHEMBL305660 | 102858 | 97 | None | -7 | 25 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| 2142 | 3096 | 58 | None | -14 | 36 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | None | -14 | 36 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | None | -14 | 36 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | None | -14 | 36 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | None | -14 | 36 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | None | -14 | 36 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 124 | 2981 | 47 | None | -53 | 33 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | None | -53 | 33 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | None | -53 | 33 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | None | -53 | 33 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | None | -53 | 33 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 36811 | 1454 | 37 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| 535 | 1454 | 37 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| 937 | 1454 | 37 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| CHEMBL926 | 1454 | 37 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| DB00841 | 1454 | 37 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| 133 | 2496 | 52 | None | -58 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 1723 | 2496 | 52 | None | -58 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 28693 | 2496 | 52 | None | -58 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| CHEMBL19215 | 2496 | 52 | None | -58 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| DB13520 | 2496 | 52 | None | -58 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 66265 | 94013 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL248702 | 94013 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 2146 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 485 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 6041 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| CHEMBL1215 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| DB00388 | 3100 | 67 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 1971 | 2866 | 38 | None | -5 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 2404 | 2866 | 38 | None | -5 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 4543 | 2866 | 38 | None | -5 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| CHEMBL445 | 2866 | 38 | None | -5 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| DB00540 | 2866 | 38 | None | -5 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 16041092 | 95380 | 0 | UNDEFINED | -20 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| CHEMBL256804 | 95380 | 0 | UNDEFINED | -20 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| None | 216341 | 0 | 3H-PRAZOSIN | -79 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2202 | 3132 | 96 | 3H-PRAZOSIN | -5 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 4850 | 3132 | 96 | 3H-PRAZOSIN | -5 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 49 | 3132 | 96 | 3H-PRAZOSIN | -5 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL1371770 | 3132 | 96 | 3H-PRAZOSIN | -5 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| DB12478 | 3132 | 96 | 3H-PRAZOSIN | -5 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 489 | 145 | 28 | 3H-PRAZOSIN | -257 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| 5640 | 145 | 28 | 3H-PRAZOSIN | -257 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| CHEMBL420060 | 145 | 28 | 3H-PRAZOSIN | -257 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1028 | 291 | 71 | 125I-HEAT | -54 | 30 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 291 | 71 | 125I-HEAT | -54 | 30 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 291 | 71 | 125I-HEAT | -54 | 30 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 291 | 71 | 125I-HEAT | -54 | 30 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 291 | 71 | 125I-HEAT | -54 | 30 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 291 | 71 | 125I-HEAT | -54 | 30 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 104911 | 216019 | 0 | 3H-PRAZOSIN | -1949 | 37 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | |||
| 102 | 4127 | 48 | 125I-HEAT | -194 | 49 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 125I-HEAT | -194 | 49 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 125I-HEAT | -194 | 49 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 125I-HEAT | -194 | 49 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 125I-HEAT | -194 | 49 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 25058166 | 215960 | 0 | 3H-PRAZOSIN | -338 | 27 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
| 6852389 | 215960 | 0 | 3H-PRAZOSIN | -338 | 27 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
| None | 216239 | 0 | 125I-HEAT | -16982 | 30 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041091 | 95221 | 0 | UNDEFINED | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| CHEMBL256041 | 95221 | 0 | UNDEFINED | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2105 | 3054 | 37 | 3H-PRAZOSIN | -104 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 47811 | 3054 | 37 | 3H-PRAZOSIN | -104 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 48 | 3054 | 37 | 3H-PRAZOSIN | -104 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| CHEMBL531 | 3054 | 37 | 3H-PRAZOSIN | -104 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| DB01186 | 3054 | 37 | 3H-PRAZOSIN | -104 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 135398737 | 958 | 93 | 125I-HEAT | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 135398737 | 958 | 93 | 3H-PRAZOSIN | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 125I-HEAT | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-PRAZOSIN | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 125I-HEAT | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-PRAZOSIN | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 125I-HEAT | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-PRAZOSIN | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 125I-HEAT | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-PRAZOSIN | -4 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2247 | 505 | 81 | None | -15 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 249 | 505 | 81 | None | -15 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 2603 | 505 | 81 | None | -15 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| CHEMBL296419 | 505 | 81 | None | -15 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| DB00637 | 505 | 81 | None | -15 | 42 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 4011 | 82408 | 49 | None | -13 | 24 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| CHEMBL21731 | 82408 | 49 | None | -13 | 24 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| 3151 | 1462 | 97 | None | -31 | 27 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 945 | 1462 | 97 | None | -31 | 27 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 965 | 1462 | 97 | None | -31 | 27 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| CHEMBL219916 | 1462 | 97 | None | -31 | 27 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| DB01184 | 1462 | 97 | None | -31 | 27 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 5639 | 98895 | 75 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | None | |||
| CHEMBL279229 | 98895 | 75 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | None | |||
| 2398 | 954 | 62 | None | -2 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 2801 | 954 | 62 | None | -2 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 701 | 954 | 62 | None | -2 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| CHEMBL415 | 954 | 62 | None | -2 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| DB01242 | 954 | 62 | None | -2 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 1588 | 2325 | 27 | None | -63 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 28864 | 2325 | 27 | None | -63 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 43 | 2325 | 27 | None | -63 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL157138 | 2325 | 27 | None | -63 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB00589 | 2325 | 27 | None | -63 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 135 | 2532 | 43 | None | -11 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | None | -11 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | None | -11 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | None | -11 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | None | -11 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1353 | 1911 | 93 | 3H-PRAZOSIN | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 1911 | 93 | 3H-PRAZOSIN | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 1911 | 93 | 3H-PRAZOSIN | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 1911 | 93 | 3H-PRAZOSIN | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 1911 | 93 | 3H-PRAZOSIN | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 213 | 3853 | 55 | None | -1 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 2717 | 3853 | 55 | None | -1 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 5533 | 3853 | 55 | None | -1 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| CHEMBL621 | 3853 | 55 | None | -1 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| DB00656 | 3853 | 55 | None | -1 | 44 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 191 | 403 | 98 | None | -15 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 201 | 403 | 98 | None | -15 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 2170 | 403 | 98 | None | -15 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| CHEMBL1113 | 403 | 98 | None | -15 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| DB00543 | 403 | 98 | None | -15 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 463 | 1405 | 22 | None | -25 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 6918097 | 1405 | 22 | None | -25 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 837 | 1405 | 22 | None | -25 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| CHEMBL2051956 | 1405 | 22 | None | -25 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| DB14068 | 1405 | 22 | None | -25 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 1613 | 2348 | 53 | None | -5 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 2348 | 53 | None | -5 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 2348 | 53 | None | -5 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 2348 | 53 | None | -5 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 2348 | 53 | None | -5 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 2267 | 559 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | |||
| 271 | 559 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | |||
| 7121 | 559 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | |||
| CHEMBL639 | 559 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | |||
| DB00972 | 559 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | |||
| 2274 | 3173 | 58 | None | -9 | 31 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 4917 | 3173 | 58 | None | -9 | 31 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 7279 | 3173 | 58 | None | -9 | 31 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| CHEMBL728 | 3173 | 58 | None | -9 | 31 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| DB00433 | 3173 | 58 | None | -9 | 31 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 2142 | 3096 | 58 | None | -18 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | None | -18 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | None | -18 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | None | -18 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | None | -18 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | None | -18 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 277 | 1301 | 62 | None | -21 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 2913 | 1301 | 62 | None | -21 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 765 | 1301 | 62 | None | -21 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| CHEMBL516 | 1301 | 62 | None | -21 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| DB00434 | 1301 | 62 | None | -21 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 180 | 401 | 56 | None | -33 | 40 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 200 | 401 | 56 | None | -33 | 40 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 2160 | 401 | 56 | None | -33 | 40 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL629 | 401 | 56 | None | -33 | 40 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00321 | 401 | 56 | None | -33 | 40 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 1201549 | 597 | 24 | None | -15 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 333 | 597 | 24 | None | -15 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 7601 | 597 | 24 | None | -15 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL1201203 | 597 | 24 | None | -15 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL438151 | 597 | 24 | None | -15 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| DB00245 | 597 | 24 | None | -15 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 26987 | 949 | 33 | None | -63 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 6063 | 949 | 33 | None | -63 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 671 | 949 | 33 | None | -63 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| CHEMBL1626 | 949 | 33 | None | -63 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| DB00283 | 949 | 33 | None | -63 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 135 | 2532 | 43 | None | -8 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | None | -8 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | None | -8 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | None | -8 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | None | -8 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 2337 | 3256 | 77 | None | -3 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 3256 | 77 | None | -3 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 3256 | 77 | None | -3 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 3256 | 77 | None | -3 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 3256 | 77 | None | -3 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 242 | 470 | 124 | None | -21 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 470 | 124 | None | -21 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 470 | 124 | None | -21 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 470 | 124 | None | -21 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 470 | 124 | None | -21 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 212 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 2639 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 941651 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| CHEMBL1201 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| DB01623 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 6075 | 150108 | 42 | None | -3 | 16 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | |||
| CHEMBL395110 | 150108 | 42 | None | -3 | 16 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | |||
| 1225 | 1471 | 26 | None | -26 | 22 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 3958 | 1471 | 26 | None | -26 | 22 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 667477 | 1471 | 26 | None | -26 | 22 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| CHEMBL860 | 1471 | 26 | None | -26 | 22 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| DB01142 | 1471 | 26 | None | -26 | 22 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 21302490 | 112805 | 32 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | None | |||
| CHEMBL3233142 | 112805 | 32 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | None | |||
| CHEMBL3306803 | 112805 | 32 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | None | |||
| 3033538 | 1319 | 39 | None | -2 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| 7155 | 1319 | 39 | None | -2 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| 781 | 1319 | 39 | None | -2 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| CHEMBL1201216 | 1319 | 39 | None | -2 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| DB00298 | 1319 | 39 | None | -2 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| 277 | 1301 | 62 | None | -16 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 2913 | 1301 | 62 | None | -16 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 765 | 1301 | 62 | None | -16 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| CHEMBL516 | 1301 | 62 | None | -16 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| DB00434 | 1301 | 62 | None | -16 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 1443 | 2028 | 34 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 33625 | 2028 | 34 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 501 | 2028 | 34 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| CHEMBL279516 | 2028 | 34 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| DB08950 | 2028 | 34 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 135398745 | 2914 | 112 | None | -11 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | None | -11 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | None | -11 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | None | -11 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 2286 | 3183 | 51 | None | -4 | 30 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 4927 | 3183 | 51 | None | -4 | 30 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 7282 | 3183 | 51 | None | -4 | 30 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| CHEMBL643 | 3183 | 51 | None | -4 | 30 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| DB01069 | 3183 | 51 | None | -4 | 30 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 4151 | 3607 | 89 | None | -117 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| 493 | 3607 | 89 | None | -117 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| 5312125 | 3607 | 89 | None | -117 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| CHEMBL24778 | 3607 | 89 | None | -117 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| DB06207 | 3607 | 89 | None | -117 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| 4418 | 34222 | 85 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | |||
| CHEMBL142635 | 34222 | 85 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | |||
| 1212 | 1662 | 50 | None | -24 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | None | -24 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | None | -24 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | None | -24 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | None | -24 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 2337 | 3256 | 77 | None | -1 | 62 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 3256 | 77 | None | -1 | 62 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 3256 | 77 | None | -1 | 62 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 3256 | 77 | None | -1 | 62 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 3256 | 77 | None | -1 | 62 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 1212 | 1662 | 50 | None | -20 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | None | -20 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | None | -20 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | None | -20 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | None | -20 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3389 | 217711 | 0 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | |||
| 135398737 | 958 | 93 | None | -4 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | None | -4 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | None | -4 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | None | -4 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | None | -4 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041091 | 95221 | 0 | UNDEFINED | -7 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| CHEMBL256041 | 95221 | 0 | UNDEFINED | -7 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| 16041264 | 95443 | 0 | UNDEFINED | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| CHEMBL257077 | 95443 | 0 | UNDEFINED | -17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 484 | 2858 | 51 | 125I-BE2254 | -10 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 2858 | 51 | 125I-BE2254 | -10 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 2858 | 51 | 125I-BE2254 | -10 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 16041628 | 155350 | 0 | UNDEFINED | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| CHEMBL403280 | 155350 | 0 | UNDEFINED | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1353 | 1911 | 93 | 125I-HEAT | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 1911 | 93 | 125I-HEAT | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 1911 | 93 | 125I-HEAT | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 1911 | 93 | 125I-HEAT | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 1911 | 93 | 125I-HEAT | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3168 | 9262 | 92 | None | -13 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| CHEMBL1108 | 9262 | 92 | None | -13 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| 2865 | 4143 | 73 | None | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 4143 | 73 | None | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 4143 | 73 | None | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 4143 | 73 | None | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 4143 | 73 | None | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 240 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 2769 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 44279790 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 660 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| CHEMBL1729 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| CHEMBL560739 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| DB00604 | 944 | 43 | None | -1 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 134551 | 358 | 27 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 271 | 358 | 27 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 885 | 358 | 27 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| CHEMBL1403281 | 358 | 27 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 1353 | 1911 | 93 | None | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 1911 | 93 | None | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 1911 | 93 | None | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 1911 | 93 | None | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 1911 | 93 | None | -5 | 83 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 1524 | 2181 | 96 | None | -5 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 197 | 2181 | 96 | None | -5 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 3822 | 2181 | 96 | None | -5 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 88 | 2181 | 96 | None | -5 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| CHEMBL51 | 2181 | 96 | None | -5 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| DB12465 | 2181 | 96 | None | -5 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 2726 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | None | -3 | 72 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 1353 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 1911 | 93 | None | -4 | 83 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 103 | 4153 | 61 | None | -5 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 4153 | 61 | None | -5 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 4153 | 61 | None | -5 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 4153 | 61 | None | -5 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 4153 | 61 | None | -5 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2284 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 4926 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 7281 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| CHEMBL564 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| DB00420 | 3182 | 33 | None | -2 | 29 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 11954224 | 215953 | 0 | None | -117 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
| 10531 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 121 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 888 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| CHEMBL1732 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| DB00320 | 1420 | 21 | None | -16 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | None | -3 | 89 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | None | -3 | 89 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2389 | 3331 | 118 | None | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | None | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | None | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | None | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | None | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 115 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 2092 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 7109 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| CHEMBL709 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| DB00346 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 100 | 3805 | 58 | None | -2 | 55 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | None | -2 | 55 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | None | -2 | 55 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | None | -2 | 55 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | None | -2 | 55 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 100 | 3805 | 58 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 31101 | 729 | 40 | None | -5 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 729 | 40 | None | -5 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 729 | 40 | None | -5 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 729 | 40 | None | -5 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 729 | 40 | None | -5 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 2585 | 803 | 103 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 522 | 803 | 103 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 551 | 803 | 103 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| CHEMBL723 | 803 | 103 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| DB01136 | 803 | 103 | None | -6 | 21 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 6761 | 67799 | 19 | None | -1 | 18 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| CHEMBL1909072 | 67799 | 19 | None | -1 | 18 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| 2470 | 3653 | 50 | None | -102 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3300 | 3653 | 50 | None | -102 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 5265 | 3653 | 50 | None | -102 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 99 | 3653 | 50 | None | -102 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL267930 | 3653 | 50 | None | -102 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 107715 | 200945 | 22 | None | -7 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| CHEMBL1255837 | 200945 | 22 | None | -7 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| CHEMBL601773 | 200945 | 22 | None | -7 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| 102 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | None | -194 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 2389 | 3331 | 118 | None | -8 | 67 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | None | -8 | 67 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | None | -8 | 67 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | None | -8 | 67 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | None | -8 | 67 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 16041451 | 97808 | 0 | UNDEFINED | -12 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL271913 | 97808 | 0 | UNDEFINED | -12 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 216626 | 0 | UNDEFINED | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 359 | 1 | 2 | 3 | 5.3 | CC1=CC=CC=C1N2C3=CC=CC=C3C(CC(C4=CC=CC=C42)(C)O)(C)O | None | |||
| 124 | 2981 | 47 | 125I-HEAT | -218 | 33 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | 125I-HEAT | -218 | 33 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | 125I-HEAT | -218 | 33 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | 125I-HEAT | -218 | 33 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | 125I-HEAT | -218 | 33 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 135409468 | 2035 | 69 | 3H-PRAZOSIN | -30 | 39 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| 333 | 2035 | 69 | 3H-PRAZOSIN | -30 | 39 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| CHEMBL845 | 2035 | 69 | 3H-PRAZOSIN | -30 | 39 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| 3075702 | 217332 | 0 | 3H-PRAZOSIN | -2 | 37 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | |||
| 2389 | 3331 | 118 | 125I-HEAT | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | 125I-HEAT | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | 125I-HEAT | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | 125I-HEAT | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | 125I-HEAT | -26 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 2865 | 4143 | 73 | 125I-HEAT | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 4143 | 73 | 125I-HEAT | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 4143 | 73 | 125I-HEAT | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 4143 | 73 | 125I-HEAT | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 4143 | 73 | 125I-HEAT | -17 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 4209 | 3163 | 75 | None | -17 | 33 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | None | -17 | 33 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | None | -17 | 33 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | None | -17 | 33 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | None | -17 | 33 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | None | -17 | 33 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 2726 | 919 | 68 | None | -1 | 72 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | None | -1 | 72 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | None | -1 | 72 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | None | -1 | 72 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | None | -1 | 72 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 3157 | 1470 | 71 | None | -1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 7170 | 1470 | 71 | None | -1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 954 | 1470 | 71 | None | -1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| CHEMBL707 | 1470 | 71 | None | -1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| DB00590 | 1470 | 71 | None | -1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 115237 | 55585 | 119 | None | -10 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 55585 | 119 | None | -10 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 3584 | 3777 | 64 | None | 1 | 13 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 3777 | 64 | None | 1 | 13 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 3777 | 64 | None | 1 | 13 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 3777 | 64 | None | 1 | 13 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 3777 | 64 | None | 1 | 13 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 2470 | 3653 | 50 | None | -102 | 59 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3300 | 3653 | 50 | None | -102 | 59 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 5265 | 3653 | 50 | None | -102 | 59 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 99 | 3653 | 50 | None | -102 | 59 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL267930 | 3653 | 50 | None | -102 | 59 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 1238 | 203174 | 24 | None | -3 | 16 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| CHEMBL64249 | 203174 | 24 | None | -3 | 16 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| 3157 | 1470 | 71 | None | 1 | 10 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 7170 | 1470 | 71 | None | 1 | 10 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 954 | 1470 | 71 | None | 1 | 10 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| CHEMBL707 | 1470 | 71 | None | 1 | 10 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| DB00590 | 1470 | 71 | None | 1 | 10 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 2435 | 3590 | 83 | None | -3 | 48 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 60149 | 3590 | 83 | None | -3 | 48 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 98 | 3590 | 83 | None | -3 | 48 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| CHEMBL12713 | 3590 | 83 | None | -3 | 48 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| DB06144 | 3590 | 83 | None | -3 | 48 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 129211 | 3749 | 78 | None | -8 | 15 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 3749 | 78 | None | -8 | 15 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 3749 | 78 | None | -8 | 15 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 3749 | 78 | None | -8 | 15 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 3749 | 78 | None | -8 | 15 | Golden hamster | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 11978813 | 721 | 79 | None | -12 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 5014 | 721 | 79 | None | -12 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 7672 | 721 | 79 | None | -12 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| CHEMBL2105760 | 721 | 79 | None | -12 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| DB09128 | 721 | 79 | None | -12 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 7153 | 98020 | 77 | 3H-PRAZOSIN | -47 | 34 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | |||
| CHEMBL272942 | 98020 | 77 | 3H-PRAZOSIN | -47 | 34 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 484 | 2858 | 51 | 125I-HEAT | -10 | 35 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 2858 | 51 | 125I-HEAT | -10 | 35 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 2858 | 51 | 125I-HEAT | -10 | 35 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 4508 | 3139 | 98 | 125I-HEAT | -43 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 4866774 | 3139 | 98 | 125I-HEAT | -43 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 509 | 3139 | 98 | 125I-HEAT | -43 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 838 | 3139 | 98 | 125I-HEAT | -43 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1740 | 3139 | 98 | 125I-HEAT | -43 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| None | 216567 | 0 | UNDEFINED | -26 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041092 | 95380 | 0 | UNDEFINED | -20 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| CHEMBL256804 | 95380 | 0 | UNDEFINED | -20 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| 13442 | 2684 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 392 | 6 | 0 | 7 | 3.6 | C12=CC=CC=C1SN=C2N3CCN(CCCCN4N=NC5=C4C=CC=C5)CC3 | 38968440 | |||
| 76283388 | 2684 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 392 | 6 | 0 | 7 | 3.6 | C12=CC=CC=C1SN=C2N3CCN(CCCCN4N=NC5=C4C=CC=C5)CC3 | 38968440 | |||
| 1753 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| 1753 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| 483 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| 483 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| 6082 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| 6082 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| CHEMBL524 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| CHEMBL524 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| DB00723 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| DB00723 | 2504 | 28 | None | -1 | 5 | Human | 3.5 | pKi | = | 3.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| 1802 | 2533 | 33 | None | -1513 | 2 | Rat | 3.7 | pKi | = | 3.7 | Binding | Guide to Pharmacology | 325 | 1 | 0 | 3 | 4.3 | Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F | 10565838 | |||
| 3342 | 2533 | 33 | None | -1513 | 2 | Rat | 3.7 | pKi | = | 3.7 | Binding | Guide to Pharmacology | 325 | 1 | 0 | 3 | 4.3 | Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F | 10565838 | |||
| 4192 | 2533 | 33 | None | -1513 | 2 | Rat | 3.7 | pKi | = | 3.7 | Binding | Guide to Pharmacology | 325 | 1 | 0 | 3 | 4.3 | Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F | 10565838 | |||
| CHEMBL655 | 2533 | 33 | None | -1513 | 2 | Rat | 3.7 | pKi | = | 3.7 | Binding | Guide to Pharmacology | 325 | 1 | 0 | 3 | 4.3 | Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F | 10565838 | |||
| DB00683 | 2533 | 33 | None | -1513 | 2 | Rat | 3.7 | pKi | = | 3.7 | Binding | Guide to Pharmacology | 325 | 1 | 0 | 3 | 4.3 | Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F | 10565838 | |||
| 1606 | 2343 | 0 | None | - | 1 | Rat | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 320 | 1 | 2 | 3 | 3.1 | Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl | 10565838 | |||
| 3958 | 2343 | 0 | None | - | 1 | Rat | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 320 | 1 | 2 | 3 | 3.1 | Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl | 10565838 | |||
| 5884 | 2343 | 0 | None | - | 1 | Rat | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 320 | 1 | 2 | 3 | 3.1 | Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl | 10565838 | |||
| CHEMBL580 | 2343 | 0 | None | - | 1 | Rat | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 320 | 1 | 2 | 3 | 3.1 | Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl | 10565838 | |||
| DB00186 | 2343 | 0 | None | - | 1 | Rat | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 320 | 1 | 2 | 3 | 3.1 | Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl | 10565838 | |||
| 2146 | 3100 | 67 | None | -12 | 9 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| 485 | 3100 | 67 | None | -12 | 9 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| 6041 | 3100 | 67 | None | -12 | 9 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| CHEMBL1215 | 3100 | 67 | None | -12 | 9 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| DB00388 | 3100 | 67 | None | -12 | 9 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| 1960 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 1960 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 439260 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 439260 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 505 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 505 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| CHEMBL1437 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| CHEMBL1437 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| DB00368 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| DB00368 | 2857 | 67 | None | -199 | 26 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 247704 | 290 | 31 | None | -7 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 4450 | 290 | 31 | None | -7 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| CHEMBL42280 | 290 | 31 | None | -7 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 2765 | 943 | 19 | None | -229 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | |||
| 515 | 943 | 19 | None | -229 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | |||
| CHEMBL13852 | 943 | 19 | None | -229 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | |||
| DB09202 | 943 | 19 | None | -229 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | |||
| 1028 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 1028 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 139148732 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 139148732 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 479 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 479 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 5816 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 5816 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| CHEMBL679 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| CHEMBL679 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| DB00668 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| DB00668 | 291 | 71 | None | -54 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 124 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| 124 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| 124 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| 2032 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| 2032 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| 2032 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| 4636 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| 4636 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| 4636 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| CHEMBL762 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| CHEMBL762 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| CHEMBL762 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| DB00935 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| DB00935 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| DB00935 | 2981 | 47 | None | -338 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | |||
| 2419 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | |||
| 9 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | |||
| CHEMBL13647 | 695 | 28 | None | -186 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | |||
| 489 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | |||
| 489 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | |||
| 489 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | |||
| 489 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | |||
| 5640 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | |||
| 5640 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | |||
| 5640 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | |||
| 5640 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | |||
| CHEMBL420060 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | |||
| CHEMBL420060 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | |||
| CHEMBL420060 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | |||
| CHEMBL420060 | 145 | 28 | None | -316 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | |||
| 10453764 | 2198 | 0 | None | -5 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 402 | 4 | 0 | 8 | 0.9 | Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C | 17639498 | |||
| 8896 | 2198 | 0 | None | -5 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 402 | 4 | 0 | 8 | 0.9 | Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C | 17639498 | |||
| 487 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| 487 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | |||
| 487 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | |||
| 60602 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| 60602 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | |||
| 60602 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | |||
| CHEMBL405355 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| CHEMBL405355 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | |||
| CHEMBL405355 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | |||
| DB09239 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| DB09239 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | |||
| DB09239 | 3634 | 21 | None | -154 | 11 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| 4151 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| 4151 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| 493 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| 493 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| 5312125 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| 5312125 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| CHEMBL24778 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| CHEMBL24778 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| DB06207 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| DB06207 | 3607 | 89 | None | -117 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| 1443 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| 1443 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| 33625 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| 33625 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| 501 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| 501 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| CHEMBL279516 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| CHEMBL279516 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| DB08950 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| DB08950 | 2028 | 34 | None | -5 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| 8461 | 316 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 374 | 6 | 2 | 3 | 4.4 | OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl | 8764344 | |||
| 9907616 | 316 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 374 | 6 | 2 | 3 | 4.4 | OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl | 8764344 | |||
| 506 | 2252 | 39 | None | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 9548811 | |||
| 6603904 | 2252 | 39 | None | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 9548811 | |||
| CHEMBL19476 | 2252 | 39 | None | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 9548811 | |||
| 135398737 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| 135398737 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | |||
| 38 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| 38 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | |||
| 722 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| 722 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | |||
| CHEMBL42 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| CHEMBL42 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | |||
| DB00363 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| DB00363 | 958 | 93 | None | -4 | 89 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | |||
| 2389 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| 2389 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | |||
| 5073 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| 5073 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | |||
| 96 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| 96 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | |||
| CHEMBL85 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| CHEMBL85 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | |||
| DB00734 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| DB00734 | 3331 | 118 | None | -26 | 67 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | |||
| 13153 | 2457 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 23648423 | |||||
| 13152 | 2693 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 23648423 | |||||
| 115 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| 115 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 7658428 | |||
| 2092 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| 2092 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 7658428 | |||
| 7109 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| 7109 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 7658428 | |||
| CHEMBL709 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| CHEMBL709 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 7658428 | |||
| DB00346 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| DB00346 | 343 | 71 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 7658428 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | |||
| 499 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | |||
| 5685 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | |||
| CHEMBL25554 | 4077 | 18 | None | -15 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| 3584 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| 5401 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| 7302 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| CHEMBL611 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| DB01162 | 3777 | 64 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| 507 | 3328 | 0 | None | 2511 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15194691 | |||||
| 8459 | 3298 | 4 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 32608144 | |||
| 8459 | 3298 | 4 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 9190864 | |||
| 9891980 | 3298 | 4 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 32608144 | |||
| 9891980 | 3298 | 4 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 9190864 | |||
| CHEMBL430717 | 3298 | 4 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 32608144 | |||
| CHEMBL430717 | 3298 | 4 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 9190864 | |||
| 3157 | 1470 | 71 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| 7170 | 1470 | 71 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| 954 | 1470 | 71 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| CHEMBL707 | 1470 | 71 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| DB00590 | 1470 | 71 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| 129211 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| 2562 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| 488 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| CHEMBL836 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| DB00706 | 3749 | 78 | None | -13 | 15 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| 132266 | 1278 | 12 | None | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | |||
| 132266 | 1278 | 12 | None | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| 486 | 1278 | 12 | None | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | |||
| 486 | 1278 | 12 | None | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| CHEMBL423294 | 1278 | 12 | None | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | |||
| CHEMBL423294 | 1278 | 12 | None | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| 4209 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| 4893 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| 503 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| 5385 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| CHEMBL2 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| DB00457 | 3163 | 75 | None | -3 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| 13151 | 981 | 0 | None | 3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 26238322 | |||
| 9930376 | 981 | 0 | None | 3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 26238322 | |||
| CHEMBL3609360 | 981 | 0 | None | 3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 26238322 | |||
| 4038180 | 204 | 14 | None | -9772 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | |||
| 480 | 204 | 14 | None | -9772 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | |||
| CHEMBL109783 | 204 | 14 | None | -9772 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | |||
| 2105 | 3054 | 37 | None | -104 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 47811 | 3054 | 37 | None | -104 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 48 | 3054 | 37 | None | -104 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| CHEMBL531 | 3054 | 37 | None | -104 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| DB01186 | 3054 | 37 | None | -104 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 228 | 445 | 28 | None | -1 | 24 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 33 | 445 | 28 | None | -1 | 24 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 6005 | 445 | 28 | None | -1 | 24 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| CHEMBL53 | 445 | 28 | None | -1 | 24 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| DB00714 | 445 | 28 | None | -1 | 24 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 521 | 1404 | 69 | None | -15 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 5311068 | 1404 | 69 | None | -15 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 835 | 1404 | 69 | None | -15 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| CHEMBL778 | 1404 | 69 | None | -15 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| DB00633 | 1404 | 69 | None | -15 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 3337 | 206367 | 27 | None | -32 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 206367 | 27 | None | -32 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 206367 | 27 | None | -32 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 206367 | 27 | None | -32 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 206367 | 27 | None | -32 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 37 | 778 | 60 | None | -2 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 460 | 778 | 60 | None | -2 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 54746 | 778 | 60 | None | -2 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| CHEMBL1201087 | 778 | 60 | None | -2 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| DB00248 | 778 | 60 | None | -2 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 2601 | 3780 | 33 | None | -18 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 443951 | 3780 | 33 | None | -18 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 56 | 3780 | 33 | None | -18 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL73151 | 3780 | 33 | None | -18 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB13399 | 3780 | 33 | None | -18 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 1588 | 2325 | 27 | None | -32 | 44 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 28864 | 2325 | 27 | None | -32 | 44 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 43 | 2325 | 27 | None | -32 | 44 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL157138 | 2325 | 27 | None | -32 | 44 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB00589 | 2325 | 27 | None | -32 | 44 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 46780481 | 107531 | 20 | None | -33 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 107531 | 20 | None | -33 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 107531 | 20 | None | -33 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3544974 | 107531 | 20 | None | -33 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 31101 | 729 | 40 | None | -5 | 36 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 729 | 40 | None | -5 | 36 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 729 | 40 | None | -5 | 36 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 729 | 40 | None | -5 | 36 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 729 | 40 | None | -5 | 36 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 481 | 2892 | 7 | None | -11 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | |||
| 9838763 | 2892 | 7 | None | -11 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | |||
| CHEMBL72958 | 2892 | 7 | None | -11 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | |||
| 497 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | |||
| 9872515 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | |||
| CHEMBL24777 | 3365 | 8 | None | -66 | 3 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | |||
| 135 | 2532 | 43 | None | -8 | 58 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| 1796 | 2532 | 43 | None | -8 | 58 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| 4184 | 2532 | 43 | None | -8 | 58 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| CHEMBL6437 | 2532 | 43 | None | -8 | 58 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| DB06148 | 2532 | 43 | None | -8 | 58 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| 277 | 1301 | 62 | None | -16 | 50 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| 2913 | 1301 | 62 | None | -16 | 50 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| 765 | 1301 | 62 | None | -16 | 50 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| CHEMBL516 | 1301 | 62 | None | -16 | 50 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| DB00434 | 1301 | 62 | None | -16 | 50 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| 5268 | 3656 | 40 | None | -79 | 18 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | |||
| 53 | 3656 | 40 | None | -79 | 18 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | |||
| CHEMBL300555 | 3656 | 40 | None | -79 | 18 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | |||
| 148842 | 3946 | 27 | None | -28 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | |||
| 496 | 3946 | 27 | None | -28 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | |||
| CHEMBL278865 | 3946 | 27 | None | -28 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | |||
| 491 | 192 | 9 | None | -60 | 12 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||
| 9891167 | 192 | 9 | None | -60 | 12 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||
| CHEMBL13856 | 192 | 9 | None | -60 | 12 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||
| 5074 | 3332 | 80 | None | -17 | 30 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | |||
| 97 | 3332 | 80 | None | -17 | 30 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | |||
| CHEMBL267777 | 3332 | 80 | None | -17 | 30 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | |||
| DB12693 | 3332 | 80 | None | -17 | 30 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | |||
| 1524 | 2181 | 96 | None | -5 | 52 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| 197 | 2181 | 96 | None | -5 | 52 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| 3822 | 2181 | 96 | None | -5 | 52 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| 88 | 2181 | 96 | None | -5 | 52 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| CHEMBL51 | 2181 | 96 | None | -5 | 52 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| DB12465 | 2181 | 96 | None | -5 | 52 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| 490 | 191 | 8 | None | -23 | 12 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| 9890547 | 191 | 8 | None | -23 | 12 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| CHEMBL268758 | 191 | 8 | None | -23 | 12 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| 506 | 2252 | 39 | None | 1 | 5 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 9548811 | |||
| 6603904 | 2252 | 39 | None | 1 | 5 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 9548811 | |||
| CHEMBL19476 | 2252 | 39 | None | 1 | 5 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 9548811 | |||
| 4431 | 2729 | 25 | None | -2 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | |||
| 73 | 2729 | 25 | None | -2 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | |||
| CHEMBL8618 | 2729 | 25 | None | -2 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | |||
| 2470 | 3653 | 50 | None | -102 | 59 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| 3300 | 3653 | 50 | None | -102 | 59 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| 5265 | 3653 | 50 | None | -102 | 59 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| 99 | 3653 | 50 | None | -102 | 59 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| CHEMBL267930 | 3653 | 50 | None | -102 | 59 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||