Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
2435 | 714 | 98 | None | 1 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
395 | 714 | 98 | None | 1 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
520 | 714 | 98 | None | 1 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
5386 | 714 | 98 | None | 1 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL844 | 714 | 98 | None | 1 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
DB00484 | 714 | 98 | None | 1 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
521 | 1377 | 64 | None | -4 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
5311068 | 1377 | 64 | None | -4 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
835 | 1377 | 64 | None | -4 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
CHEMBL778 | 1377 | 64 | None | -4 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
DB00633 | 1377 | 64 | None | -4 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
2435 | 714 | 98 | None | 1 | 8 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
395 | 714 | 98 | None | 1 | 8 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
520 | 714 | 98 | None | 1 | 8 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
5386 | 714 | 98 | None | 1 | 8 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
CHEMBL844 | 714 | 98 | None | 1 | 8 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
DB00484 | 714 | 98 | None | 1 | 8 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
218362 | 203092 | 5 | None | 1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL75030 | 203092 | 5 | None | 1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
185076 | 186507 | 4 | None | 11 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL49137 | 186507 | 4 | None | 11 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
521 | 1377 | 64 | None | -4 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1016/j.bmc.2010.11.020 | ||
5311068 | 1377 | 64 | None | -4 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1016/j.bmc.2010.11.020 | ||
835 | 1377 | 64 | None | -4 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL778 | 1377 | 64 | None | -4 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1016/j.bmc.2010.11.020 | ||
DB00633 | 1377 | 64 | None | -4 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1016/j.bmc.2010.11.020 | ||
44314198 | 103933 | 0 | None | 2 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL310335 | 103933 | 0 | None | 2 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
9815707 | 100999 | 0 | None | 2 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL297752 | 100999 | 0 | None | 2 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
2803 | 941 | 53 | None | -5 | 11 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
516 | 941 | 53 | None | -5 | 11 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
704 | 941 | 53 | None | -5 | 11 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
CHEMBL134 | 941 | 53 | None | -5 | 11 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
DB00575 | 941 | 53 | None | -5 | 11 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
44292232 | 100851 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL296660 | 100851 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
11140345 | 202470 | 0 | None | -12 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70692 | 202470 | 0 | None | -12 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
24906200 | 192553 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
CHEMBL523048 | 192553 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
11211035 | 84579 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223836 | 84579 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
11211035 | 84579 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL223836 | 84579 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
10382537 | 202465 | 11 | None | 4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL70676 | 202465 | 11 | None | 4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
44371864 | 50868 | 0 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL157955 | 50868 | 0 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
1960 | 2815 | 64 | None | -26 | 13 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2010.11.020 | ||
439260 | 2815 | 64 | None | -26 | 13 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2010.11.020 | ||
505 | 2815 | 64 | None | -26 | 13 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1437 | 2815 | 64 | None | -26 | 13 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2010.11.020 | ||
DB00368 | 2815 | 64 | None | -26 | 13 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2010.11.020 | ||
44352207 | 18668 | 1 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL128168 | 18668 | 1 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
44352207 | 18668 | 1 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL128168 | 18668 | 1 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
44352207 | 18668 | 1 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL128168 | 18668 | 1 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
44352207 | 18668 | 1 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL128168 | 18668 | 1 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
1960 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2011.11.025 | ||
439260 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2011.11.025 | ||
505 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2011.11.025 | ||
CHEMBL1437 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2011.11.025 | ||
DB00368 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2011.11.025 | ||
9859437 | 167459 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
CHEMBL432155 | 167459 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
1960 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2014.09.083 | ||
439260 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2014.09.083 | ||
505 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL1437 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2014.09.083 | ||
DB00368 | 2815 | 64 | None | -26 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2014.09.083 | ||
50994258 | 59773 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 1 | 3 | 2 | 1.1 | Cc1cccc2[nH]nc(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1641682 | 59773 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 1 | 3 | 2 | 1.1 | Cc1cccc2[nH]nc(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1739118 | 59773 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 1 | 3 | 2 | 1.1 | Cc1cccc2[nH]nc(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
53323136 | 56283 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 235 | 1 | 2 | 3 | 1.0 | Clc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1641690 | 56283 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 235 | 1 | 2 | 3 | 1.0 | Clc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
44312036 | 202859 | 0 | None | -19 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72995 | 202859 | 0 | None | -19 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
24882007 | 12367 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1186220 | 12367 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.bmc.2010.11.020 | ||
56950526 | 71164 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 234 | 2 | 1 | 4 | 1.7 | Clc1cccc2cnn(CC3=NCCN3)c12 | 10.1016/j.bmc.2011.11.025 | ||
CHEMBL1928323 | 71164 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 234 | 2 | 1 | 4 | 1.7 | Clc1cccc2cnn(CC3=NCCN3)c12 | 10.1016/j.bmc.2011.11.025 | ||
CHEMBL1962709 | 71164 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 234 | 2 | 1 | 4 | 1.7 | Clc1cccc2cnn(CC3=NCCN3)c12 | 10.1016/j.bmc.2011.11.025 | ||
57400570 | 71158 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 214 | 2 | 1 | 4 | 1.3 | Cc1cccc2cnn(CC3=NCCN3)c12 | 10.1016/j.bmc.2011.11.025 | ||
CHEMBL1928322 | 71158 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 214 | 2 | 1 | 4 | 1.3 | Cc1cccc2cnn(CC3=NCCN3)c12 | 10.1016/j.bmc.2011.11.025 | ||
CHEMBL1962686 | 71158 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 214 | 2 | 1 | 4 | 1.3 | Cc1cccc2cnn(CC3=NCCN3)c12 | 10.1016/j.bmc.2011.11.025 | ||
44371755 | 48513 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL155866 | 48513 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
24882106 | 12459 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 235 | 1 | 2 | 3 | 1.0 | Clc1cccc2c1cnn2N=C1NCCN1 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1186774 | 12459 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 235 | 1 | 2 | 3 | 1.0 | Clc1cccc2c1cnn2N=C1NCCN1 | 10.1016/j.bmc.2010.11.020 | ||
118717249 | 114627 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL3343700 | 114627 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | ||
11098175 | 202469 | 0 | None | -186 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL70691 | 202469 | 0 | None | -186 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
135399666 | 168198 | 4 | None | -23 | 6 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL437314 | 168198 | 4 | None | -23 | 6 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
3086326 | 202826 | 17 | None | 13 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72753 | 202826 | 17 | None | 13 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
131829 | 203020 | 11 | None | 37 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL74283 | 203020 | 11 | None | 37 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
44314200 | 102479 | 0 | None | -9 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL306377 | 102479 | 0 | None | -9 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
53324490 | 59776 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 235 | 1 | 3 | 2 | 1.4 | Clc1cccc2[nH]nc(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1641681 | 59776 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 235 | 1 | 3 | 2 | 1.4 | Clc1cccc2[nH]nc(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1739173 | 59776 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 235 | 1 | 3 | 2 | 1.4 | Clc1cccc2[nH]nc(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
10934575 | 202781 | 0 | None | -229 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72441 | 202781 | 0 | None | -229 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11140347 | 202828 | 0 | None | -13 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72768 | 202828 | 0 | None | -13 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11000184 | 12941 | 0 | None | -74 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1190038 | 12941 | 0 | None | -74 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540035 | 12941 | 0 | None | -74 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11173568 | 84218 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222371 | 84218 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
135453290 | 133083 | 23 | None | -1318 | 7 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL371300 | 133083 | 23 | None | -1318 | 7 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
44449277 | 154644 | 2 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 214 | 2 | 1 | 2 | 2.5 | COc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL402388 | 154644 | 2 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 214 | 2 | 1 | 2 | 2.5 | COc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
68712 | 99874 | 57 | None | -1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL289480 | 99874 | 57 | None | -1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
44312037 | 202913 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL73392 | 202913 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
2803 | 941 | 53 | None | -5 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2010.11.020 | ||
516 | 941 | 53 | None | -5 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2010.11.020 | ||
704 | 941 | 53 | None | -5 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL134 | 941 | 53 | None | -5 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2010.11.020 | ||
DB00575 | 941 | 53 | None | -5 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2010.11.020 | ||
11043720 | 91740 | 0 | None | -257 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL242265 | 91740 | 0 | None | -257 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
11043720 | 91740 | 0 | None | -257 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242265 | 91740 | 0 | None | -257 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
124 | 2933 | 44 | None | -4 | 21 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
2032 | 2933 | 44 | None | -4 | 21 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
4636 | 2933 | 44 | None | -4 | 21 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
CHEMBL762 | 2933 | 44 | None | -4 | 21 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
DB00935 | 2933 | 44 | None | -4 | 21 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
2803 | 941 | 53 | None | -5 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2011.11.025 | ||
516 | 941 | 53 | None | -5 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2011.11.025 | ||
704 | 941 | 53 | None | -5 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2011.11.025 | ||
CHEMBL134 | 941 | 53 | None | -5 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2011.11.025 | ||
DB00575 | 941 | 53 | None | -5 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2011.11.025 | ||
2146 | 3051 | 63 | None | -52 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
485 | 3051 | 63 | None | -52 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
6041 | 3051 | 63 | None | -52 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
CHEMBL1215 | 3051 | 63 | None | -52 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
DB00388 | 3051 | 63 | None | -52 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
57402718 | 70845 | 2 | None | 3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956201 | 70845 | 2 | None | 3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
11265631 | 135886 | 0 | None | -9 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL373535 | 135886 | 0 | None | -9 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
11097789 | 102524 | 0 | None | -52 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL306792 | 102524 | 0 | None | -52 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11265631 | 135886 | 0 | None | -9 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL373535 | 135886 | 0 | None | -9 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
49836306 | 18388 | 0 | None | -31 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276247 | 18388 | 0 | None | -31 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
44449247 | 94970 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.8 | COc1c(C)ccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL256984 | 94970 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.8 | COc1c(C)ccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
9817256 | 202536 | 0 | None | -251 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL71001 | 202536 | 0 | None | -251 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
9971924 | 183644 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL48341 | 183644 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
44421258 | 84322 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL1204386 | 84322 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL222933 | 84322 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
24882019 | 12461 | 2 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 215 | 1 | 2 | 3 | 0.7 | Cc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1186788 | 12461 | 2 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 215 | 1 | 2 | 3 | 0.7 | Cc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.bmc.2010.11.020 | ||
1960 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
439260 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
505 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
CHEMBL1437 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
DB00368 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
1960 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
439260 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
505 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
CHEMBL1437 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
DB00368 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
1960 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
439260 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
505 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
CHEMBL1437 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
DB00368 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
1960 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
439260 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
505 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
CHEMBL1437 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
DB00368 | 2815 | 64 | None | -26 | 13 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
294234 | 102420 | 3 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL305928 | 102420 | 3 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
118717248 | 114626 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL3343699 | 114626 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | ||
11140033 | 20483 | 0 | None | -4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL130884 | 20483 | 0 | None | -4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
11108001 | 10771 | 2 | None | -7 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117248 | 10771 | 2 | None | -7 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540542 | 10771 | 2 | None | -7 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
2435 | 714 | 98 | None | 1 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
395 | 714 | 98 | None | 1 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
520 | 714 | 98 | None | 1 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
5386 | 714 | 98 | None | 1 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
CHEMBL844 | 714 | 98 | None | 1 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
DB00484 | 714 | 98 | None | 1 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
11360447 | 84577 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223829 | 84577 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
10859076 | 13570 | 0 | None | -83 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1194763 | 13570 | 0 | None | -83 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL553276 | 13570 | 0 | None | -83 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44449276 | 95207 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 241 | 2 | 2 | 2 | 1.8 | CNC(=O)c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL257976 | 95207 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 241 | 2 | 2 | 2 | 1.8 | CNC(=O)c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
11098175 | 202469 | 0 | None | -186 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL70691 | 202469 | 0 | None | -186 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
57391904 | 71137 | 2 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 200 | 2 | 1 | 4 | 1.0 | c1ccc2c(c1)cnn2CC1=NCCN1 | 10.1016/j.bmc.2011.11.025 | ||
CHEMBL1928316 | 71137 | 2 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 200 | 2 | 1 | 4 | 1.0 | c1ccc2c(c1)cnn2CC1=NCCN1 | 10.1016/j.bmc.2011.11.025 | ||
CHEMBL1962472 | 71137 | 2 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 200 | 2 | 1 | 4 | 1.0 | c1ccc2c(c1)cnn2CC1=NCCN1 | 10.1016/j.bmc.2011.11.025 | ||
44449691 | 95715 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 261 | 2 | 1 | 2 | 3.6 | c1cncc(-c2cccc3c2CCC3c2ncc[nH]2)c1 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL260576 | 95715 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 261 | 2 | 1 | 2 | 3.6 | c1cncc(-c2cccc3c2CCC3c2ncc[nH]2)c1 | 10.1016/j.bmcl.2008.03.070 | ||
24906159 | 186822 | 12 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL493675 | 186822 | 12 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
57400959 | 70844 | 0 | None | -1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956200 | 70844 | 0 | None | -1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
11265631 | 135886 | 0 | None | -9 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL373535 | 135886 | 0 | None | -9 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
1593 | 2308 | 60 | None | -4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
30668 | 2308 | 60 | None | -4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
9868 | 2308 | 60 | None | -4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL17860 | 2308 | 60 | None | -4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
DB04948 | 2308 | 60 | None | -4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
11109088 | 202479 | 0 | None | -14 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70751 | 202479 | 0 | None | -14 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
57395731 | 70846 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956202 | 70846 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
49836305 | 18389 | 0 | None | -9 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276248 | 18389 | 0 | None | -9 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
24906199 | 187082 | 12 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495096 | 187082 | 12 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
44292386 | 101012 | 0 | None | -35 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL297827 | 101012 | 0 | None | -35 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
17804479 | 95216 | 16 | None | -1 | 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 | 95216 | 16 | None | -1 | 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 | ||
50994260 | 59775 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 235 | 1 | 3 | 2 | 1.4 | Clc1cccc2c(N=C3NCCN3)n[nH]c12 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1641689 | 59775 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 235 | 1 | 3 | 2 | 1.4 | Clc1cccc2c(N=C3NCCN3)n[nH]c12 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1739136 | 59775 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 235 | 1 | 3 | 2 | 1.4 | Clc1cccc2c(N=C3NCCN3)n[nH]c12 | 10.1016/j.bmc.2010.11.020 | ||
10333157 | 150706 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL396013 | 150706 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
10333157 | 150706 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL396013 | 150706 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
11371902 | 141106 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL385310 | 141106 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
11371902 | 141106 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL385310 | 141106 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
23622576 | 172203 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL451229 | 172203 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
2803 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
516 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
704 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL134 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
DB00575 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
2803 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
516 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
704 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
CHEMBL134 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
DB00575 | 941 | 53 | None | -5 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
10176999 | 103079 | 14 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
CHEMBL308570 | 103079 | 14 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
53322686 | 59777 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 201 | 1 | 3 | 2 | 0.7 | c1ccc2c(N=C3NCCN3)n[nH]c2c1 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1641679 | 59777 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 201 | 1 | 3 | 2 | 0.7 | c1ccc2c(N=C3NCCN3)n[nH]c2c1 | 10.1016/j.bmc.2010.11.020 | ||
CHEMBL1739201 | 59777 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 201 | 1 | 3 | 2 | 0.7 | c1ccc2c(N=C3NCCN3)n[nH]c2c1 | 10.1016/j.bmc.2010.11.020 | ||
15675860 | 202724 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72147 | 202724 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
2683 | 3774 | 57 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
5487 | 3774 | 57 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
7308 | 3774 | 57 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
CHEMBL1079 | 3774 | 57 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
DB00697 | 3774 | 57 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
24882007 | 12367 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL1186220 | 12367 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | ||
132111 | 102521 | 5 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 222 | 2 | 1 | 1 | 3.7 | CC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
CHEMBL306751 | 102521 | 5 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 222 | 2 | 1 | 1 | 3.7 | CC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
132111 | 102521 | 5 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 222 | 2 | 1 | 1 | 3.7 | CC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
CHEMBL306751 | 102521 | 5 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 222 | 2 | 1 | 1 | 3.7 | CC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
123132228 | 155765 | 46 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 369 | 5 | 1 | 8 | 2.4 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | 10.1021/acs.jmedchem.1c02148 | ||
CHEMBL4065484 | 155765 | 46 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 369 | 5 | 1 | 8 | 2.4 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | 10.1021/acs.jmedchem.1c02148 | ||
11820372 | 13379 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 208 | 2 | 1 | 1 | 3.2 | c1ccc2c(Cc3c[nH]cn3)cccc2c1 | 10.1021/jm00041a011 | ||
CHEMBL1193371 | 13379 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 208 | 2 | 1 | 1 | 3.2 | c1ccc2c(Cc3c[nH]cn3)cccc2c1 | 10.1021/jm00041a011 | ||
CHEMBL544765 | 13379 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 208 | 2 | 1 | 1 | 3.2 | c1ccc2c(Cc3c[nH]cn3)cccc2c1 | 10.1021/jm00041a011 | ||
68602 | 203416 | 72 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | 10.1021/jm00041a011 | ||
CHEMBL77921 | 203416 | 72 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | 10.1021/jm00041a011 | ||
10376336 | 13092 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 224 | 2 | 2 | 2 | 2.6 | OC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
CHEMBL1191106 | 13092 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 224 | 2 | 2 | 2 | 2.6 | OC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
CHEMBL542155 | 13092 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 224 | 2 | 2 | 2 | 2.6 | OC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
132111 | 102521 | 5 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 222 | 2 | 1 | 1 | 3.7 | CC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
CHEMBL306751 | 102521 | 5 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 222 | 2 | 1 | 1 | 3.7 | CC(c1c[nH]cn1)c1cccc2ccccc12 | 10.1021/jm00041a011 | ||
132256889 | 189853 | 0 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 378 | 5 | 1 | 7 | 3.6 | COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | 10.1021/acs.jmedchem.1c02148 | ||
CHEMBL5178464 | 189853 | 0 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 378 | 5 | 1 | 7 | 3.6 | COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | 10.1021/acs.jmedchem.1c02148 | ||
CHEMBL4755618 | 212282 | 35 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | None | None | None | Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12 | 10.1021/acs.jmedchem.1c02148 | ||||
13305910 | 11731 | 1 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182155 | 11731 | 1 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL215421 | 11731 | 1 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL3741808 | 11731 | 1 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
16121006 | 11736 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182182 | 11736 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL217469 | 11736 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
499 | 4014 | 15 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
5685 | 4014 | 15 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
CHEMBL25554 | 4014 | 15 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
6603808 | 127000 | 2 | None | - | 2 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214986 | 127000 | 2 | None | - | 2 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL36622 | 127000 | 2 | None | - | 2 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL3740374 | 127000 | 2 | None | - | 2 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
44417713 | 12316 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1185884 | 12316 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL439346 | 12316 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
44324800 | 205220 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL91157 | 205220 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
44324972 | 162820 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL419316 | 162820 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
44579272 | 186512 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL491420 | 186512 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
10758200 | 63087 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL179648 | 63087 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
44579184 | 190359 | 4 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL518592 | 190359 | 4 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
44579271 | 186511 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL491419 | 186511 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
44579228 | 181072 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL477608 | 181072 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
44404321 | 69949 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 297 | 4 | 1 | 5 | 3.0 | COc1cccc(N(NC2=NCCO2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL194323 | 69949 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 297 | 4 | 1 | 5 | 3.0 | COc1cccc(N(NC2=NCCO2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
44579185 | 181232 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL477816 | 181232 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
44579230 | 180962 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL476569 | 180962 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
44324737 | 205508 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL92860 | 205508 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
44579187 | 189087 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL515331 | 189087 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
44579229 | 189024 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL514837 | 189024 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
2683 | 3774 | 57 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
5487 | 3774 | 57 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
7308 | 3774 | 57 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
CHEMBL1079 | 3774 | 57 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
DB00697 | 3774 | 57 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
1343 | 1858 | 55 | None | -2 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1858 | 55 | None | -2 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1858 | 55 | None | -2 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1858 | 55 | None | -2 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1858 | 55 | None | -2 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
2435 | 714 | 98 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
395 | 714 | 98 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
520 | 714 | 98 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
5386 | 714 | 98 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
CHEMBL844 | 714 | 98 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
DB00484 | 714 | 98 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
521 | 1377 | 64 | None | -4 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
5311068 | 1377 | 64 | None | -4 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
835 | 1377 | 64 | None | -4 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
CHEMBL778 | 1377 | 64 | None | -4 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
DB00633 | 1377 | 64 | None | -4 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
2136 | 3046 | 29 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
4768 | 3046 | 29 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
7268 | 3046 | 29 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
CHEMBL753 | 3046 | 29 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
DB00925 | 3046 | 29 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
176 | 394 | 63 | None | 6 | 34 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2157 | 394 | 63 | None | 6 | 34 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2566 | 394 | 63 | None | 6 | 34 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
CHEMBL633 | 394 | 63 | None | 6 | 34 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
DB01118 | 394 | 63 | None | 6 | 34 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
1816 | 2504 | 99 | None | -1 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
4205 | 2504 | 99 | None | -1 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
7241 | 2504 | 99 | None | -1 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
CHEMBL654 | 2504 | 99 | None | -1 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
DB00370 | 2504 | 99 | None | -1 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
3952 | 1857 | 33 | None | 1 | 14 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5353646 | 1857 | 33 | None | 1 | 14 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5443 | 1857 | 33 | None | 1 | 14 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5702063 | 1857 | 33 | None | 1 | 14 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
CHEMBL1331786 | 1857 | 33 | None | 1 | 14 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
CHEMBL420 | 1857 | 33 | None | 1 | 14 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
168295528 | 192429 | 0 | None | -11 | 20 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5206565 | 192429 | 0 | None | -11 | 20 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222872 | 192429 | 0 | None | -11 | 20 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168294767 | 192417 | 0 | None | -11 | 20 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207281 | 192417 | 0 | None | -11 | 20 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222802 | 192417 | 0 | None | -11 | 20 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pEC50 | = | 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/np058114h | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pEC50 | = | 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/np058114h | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pEC50 | = | 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/np058114h | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pEC50 | = | 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/np058114h | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pEC50 | = | 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/np058114h | ||
168290235 | 192366 | 0 | None | -40 | 20 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5201074 | 192366 | 0 | None | -40 | 20 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222491 | 192366 | 0 | None | -40 | 20 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
164612037 | 184795 | 0 | None | -11 | 20 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL4860528 | 184795 | 0 | None | -11 | 20 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
44377036 | 119651 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL351483 | 119651 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376984 | 55930 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162682 | 55930 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376923 | 56133 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL163190 | 56133 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
22120332 | 55754 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162490 | 55754 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | ||
1588 | 2294 | 24 | None | 2 | 43 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 2294 | 24 | None | 2 | 43 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 2294 | 24 | None | 2 | 43 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 2294 | 24 | None | 2 | 43 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 2294 | 24 | None | 2 | 43 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
44376954 | 55451 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162232 | 55451 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
22120322 | 55631 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162370 | 55631 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | ||
44377200 | 57119 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165350 | 57119 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
3294 | 1975 | 106 | None | - | 44 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1021/jm00007a009 | ||
71360 | 1975 | 106 | None | - | 44 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1021/jm00007a009 | ||
87 | 1975 | 106 | None | - | 44 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1021/jm00007a009 | ||
CHEMBL14376 | 1975 | 106 | None | - | 44 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1021/jm00007a009 | ||
DB04946 | 1975 | 106 | None | - | 44 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1021/jm00007a009 | ||
44376958 | 57177 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165796 | 57177 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
3682 | 188847 | 7 | None | - | 8 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2013.03.016 | ||
CHEMBL1256784 | 188847 | 7 | None | - | 8 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2013.03.016 | ||
CHEMBL513389 | 188847 | 7 | None | - | 8 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2013.03.016 | ||
3045401 | 55767 | 28 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162501 | 55767 | 28 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376993 | 56190 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL163247 | 56190 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44377035 | 119625 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL351200 | 119625 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376900 | 55975 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162826 | 55975 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44377007 | 56853 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL164612 | 56853 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
10531 | 1392 | 18 | None | -5 | 24 | Human | 9.0 | pIC50 | = | 9.0 | 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 | 1392 | 18 | None | -5 | 24 | Human | 9.0 | pIC50 | = | 9.0 | 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 | 1392 | 18 | None | -5 | 24 | Human | 9.0 | pIC50 | = | 9.0 | 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 | 1392 | 18 | None | -5 | 24 | Human | 9.0 | pIC50 | = | 9.0 | 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 | 1392 | 18 | None | -5 | 24 | Human | 9.0 | pIC50 | = | 9.0 | 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 | ||
44376927 | 55348 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162147 | 55348 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
9951544 | 57078 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165181 | 57078 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
107715 | 199260 | 18 | None | -6 | 20 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 199260 | 18 | None | -6 | 20 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 199260 | 18 | None | -6 | 20 | Human | 8.7 | pIC50 | = | 8.7 | 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 | ||
44376936 | 57172 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165776 | 57172 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
10095594 | 12262 | 0 | None | - | 0 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 456 | 10 | 0 | 5 | 4.6 | CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL1185501 | 12262 | 0 | None | - | 0 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 456 | 10 | 0 | 5 | 4.6 | CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL417550 | 12262 | 0 | None | - | 0 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 456 | 10 | 0 | 5 | 4.6 | CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10342423 | 99010 | 0 | None | - | 1 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 11 | 1 | 5 | 3.9 | CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL28312 | 99010 | 0 | None | - | 1 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 11 | 1 | 5 | 3.9 | CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL48925 | 99010 | 0 | None | - | 1 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 11 | 1 | 5 | 3.9 | CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
44401591 | 68555 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 587 | 8 | 3 | 7 | 5.1 | Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL192266 | 68555 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 587 | 8 | 3 | 7 | 5.1 | Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
1220 | 186 | 46 | None | - | 44 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm00038a007 | ||
31 | 186 | 46 | None | - | 44 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm00038a007 | ||
7 | 186 | 46 | None | - | 44 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm00038a007 | ||
CHEMBL56 | 186 | 46 | None | - | 44 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm00038a007 | ||
10070029 | 164865 | 0 | None | - | 1 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 8 | 0 | 5 | 3.4 | CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL423841 | 164865 | 0 | None | - | 1 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 8 | 0 | 5 | 3.4 | CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL54089 | 164865 | 0 | None | - | 1 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 8 | 0 | 5 | 3.4 | CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
59271992 | 117545 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 513 | 13 | 2 | 7 | 3.5 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC | 10.1016/j.bmcl.2015.02.040 | ||
CHEMBL3403995 | 117545 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 513 | 13 | 2 | 7 | 3.5 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC | 10.1016/j.bmcl.2015.02.040 | ||
2477 | 734 | 54 | None | - | 28 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
36 | 734 | 54 | None | - | 28 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
437 | 734 | 54 | None | - | 28 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
CHEMBL49 | 734 | 54 | None | - | 28 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
DB00490 | 734 | 54 | None | - | 28 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
121852 | 10071 | 7 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL11592 | 10071 | 7 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL301060 | 10071 | 7 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
9981024 | 95651 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL26018 | 95651 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL300735 | 95651 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10040815 | 96613 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 306 | 7 | 1 | 4 | 1.8 | CCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL264027 | 96613 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 306 | 7 | 1 | 4 | 1.8 | CCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL26715 | 96613 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 306 | 7 | 1 | 4 | 1.8 | CCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10047322 | 96692 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 412 | 8 | 0 | 4 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1 | 10.1021/jm00038a007 | ||
CHEMBL26783 | 96692 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 412 | 8 | 0 | 4 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1 | 10.1021/jm00038a007 | ||
CHEMBL50993 | 96692 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 412 | 8 | 0 | 4 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1 | 10.1021/jm00038a007 | ||
10364722 | 98628 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL280608 | 98628 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL51888 | 98628 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10338595 | 161949 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 360 | 9 | 0 | 4 | 4.0 | CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL416747 | 161949 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 360 | 9 | 0 | 4 | 4.0 | CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10265863 | 192721 | 0 | None | - | 0 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 283 | 5 | 0 | 2 | 4.3 | CCCN(CCC)C1COc2ccc3ccccc3c2C1 | 10.1021/jm00038a007 | ||
CHEMBL52438 | 192721 | 0 | None | - | 0 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 283 | 5 | 0 | 2 | 4.3 | CCCN(CCC)C1COc2ccc3ccccc3c2C1 | 10.1021/jm00038a007 | ||
14450375 | 164318 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 233 | 0 | 1 | 3 | 2.3 | Cc1ccc(O)c2c1[C@H]1CCCN(C)[C@@H]1CO2 | 10.1021/jm00123a039 | ||
CHEMBL422024 | 164318 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 233 | 0 | 1 | 3 | 2.3 | Cc1ccc(O)c2c1[C@H]1CCCN(C)[C@@H]1CO2 | 10.1021/jm00123a039 | ||
1305 | 508 | 10 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
9934033 | 508 | 10 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL182150 | 508 | 10 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
2585 | 790 | 100 | None | -28 | 22 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
522 | 790 | 100 | None | -28 | 22 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
551 | 790 | 100 | None | -28 | 22 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
CHEMBL723 | 790 | 100 | None | -28 | 22 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
DB01136 | 790 | 100 | None | -28 | 22 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
25208878 | 180481 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 406 | 6 | 1 | 3 | 4.9 | CC1=C(CCN(C)C)c2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2C1 | 10.1021/jm8009469 | ||
CHEMBL475969 | 180481 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 406 | 6 | 1 | 3 | 4.9 | CC1=C(CCN(C)C)c2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2C1 | 10.1021/jm8009469 | ||
44390778 | 63948 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 5 | 2 | 5 | 4.2 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL180962 | 63948 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 5 | 2 | 5 | 4.2 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1 | 10.1016/j.bmcl.2005.05.121 | ||
11284878 | 70098 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL194602 | 70098 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
9885114 | 119099 | 3 | None | -95 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
CHEMBL346389 | 119099 | 3 | None | -95 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
CHEMBL5070958 | 212478 | 3 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | ||||
4098 | 32289 | 24 | None | -13 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL1255739 | 32289 | 24 | None | -13 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL1411979 | 32289 | 24 | None | -13 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
2812 | 4711 | 96 | None | -32 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4711 | 96 | None | -32 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
16718919 | 198099 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 462 | 4 | 1 | 6 | 4.5 | CC1=C(C2CCCN(C)C2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 | 10.1016/j.bmc.2009.08.006 | ||
CHEMBL593889 | 198099 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 462 | 4 | 1 | 6 | 4.5 | CC1=C(C2CCCN(C)C2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 | 10.1016/j.bmc.2009.08.006 | ||
3561 | 18886 | 34 | None | -1 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
CHEMBL1289 | 18886 | 34 | None | -1 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
23027211 | 195574 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.3 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL568400 | 195574 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.3 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
11284878 | 64012 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(N[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL181217 | 64012 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(N[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
44390713 | 123178 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 5 | 2 | 5 | 4.0 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL362193 | 123178 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 5 | 2 | 5 | 4.0 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
44401626 | 71010 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 5.2 | O=S(=O)(NCC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL195810 | 71010 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 5.2 | O=S(=O)(NCC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL5076569 | 212678 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | ||||
191 | 399 | 92 | None | -41 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
201 | 399 | 92 | None | -41 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2170 | 399 | 92 | None | -41 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
CHEMBL1113 | 399 | 92 | None | -41 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
DB00543 | 399 | 92 | None | -41 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
100 | 3745 | 52 | None | -33 | 55 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3745 | 52 | None | -33 | 55 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3745 | 52 | None | -33 | 55 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3745 | 52 | None | -33 | 55 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3745 | 52 | None | -33 | 55 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
3158 | 55974 | 21 | None | -3467 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 55974 | 21 | None | -3467 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
1343 | 1858 | 55 | None | -9 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
3519 | 1858 | 55 | None | -9 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
522 | 1858 | 55 | None | -9 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
CHEMBL862 | 1858 | 55 | None | -9 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
DB01018 | 1858 | 55 | None | -9 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
4735 | 193445 | 92 | None | -9 | 10 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
CHEMBL361506 | 193445 | 92 | None | -9 | 10 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
CHEMBL55 | 193445 | 92 | None | -9 | 10 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
3584 | 3718 | 60 | None | -251 | 14 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
5401 | 3718 | 60 | None | -251 | 14 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
7302 | 3718 | 60 | None | -251 | 14 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
CHEMBL611 | 3718 | 60 | None | -251 | 14 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
DB01162 | 3718 | 60 | None | -251 | 14 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
44401552 | 165353 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 5.5 | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL425012 | 165353 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 5.5 | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
448537 | 159703 | 86 | None | -33 | 25 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
CHEMBL411 | 159703 | 86 | None | -33 | 25 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
2801 | 161325 | 56 | None | -14 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL1200710 | 161325 | 56 | None | -14 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL415 | 161325 | 56 | None | -14 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
15730 | 70774 | 73 | None | -2 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL195437 | 70774 | 73 | None | -2 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
6075 | 149575 | 36 | None | -11 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
CHEMBL395110 | 149575 | 36 | None | -11 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
31101 | 720 | 39 | None | -12 | 35 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 720 | 39 | None | -12 | 35 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 720 | 39 | None | -12 | 35 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 720 | 39 | None | -12 | 35 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 720 | 39 | None | -12 | 35 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
44390730 | 63986 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 5 | 2 | 6 | 3.7 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(C#N)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL181099 | 63986 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 5 | 2 | 6 | 3.7 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(C#N)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
44390742 | 122774 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 2 | 5 | 4.0 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL361442 | 122774 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 2 | 5 | 4.0 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
14450355 | 119463 | 0 | None | - | 0 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 3 | 0 | 3 | 3.0 | CCCN1CCC=C2c3c(OC)cccc3OCC21 | 10.1021/jm00123a039 | ||
CHEMBL349824 | 119463 | 0 | None | - | 0 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 3 | 0 | 3 | 3.0 | CCCN1CCC=C2c3c(OC)cccc3OCC21 | 10.1021/jm00123a039 | ||
6726 | 1254 | 46 | None | -10 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
7151 | 1254 | 46 | None | -10 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
749 | 1254 | 46 | None | -10 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL648 | 1254 | 46 | None | -10 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB01176 | 1254 | 46 | None | -10 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
150 | 2473 | 18 | None | -45 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
1764 | 2473 | 18 | None | -45 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
8226 | 2473 | 18 | None | -45 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
CHEMBL1201356 | 2473 | 18 | None | -45 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
DB00353 | 2473 | 18 | None | -45 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
23027411 | 196843 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL577912 | 196843 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
134 | 2478 | 19 | None | -74 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
1775 | 2478 | 19 | None | -74 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
9681 | 2478 | 19 | None | -74 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
CHEMBL1065 | 2478 | 19 | None | -74 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
DB00247 | 2478 | 19 | None | -74 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
44190762 | 176306 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
CHEMBL461571 | 176306 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
2750 | 202363 | 69 | None | -3 | 12 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
CHEMBL7002 | 202363 | 69 | None | -3 | 12 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
2351 | 3234 | 60 | None | -9 | 21 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
2820 | 3234 | 60 | None | -9 | 21 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
5035 | 3234 | 60 | None | -9 | 21 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
CHEMBL81 | 3234 | 60 | None | -9 | 21 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
DB00481 | 3234 | 60 | None | -9 | 21 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
1042 | 1551 | 20 | None | -97 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 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 | nan | ||
148 | 1551 | 20 | None | -97 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 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 | nan | ||
443884 | 1551 | 20 | None | -97 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 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 | nan | ||
CHEMBL119443 | 1551 | 20 | None | -97 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 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 | nan | ||
DB01253 | 1551 | 20 | None | -97 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 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 | nan | ||
2274 | 3124 | 53 | None | -10 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
4917 | 3124 | 53 | None | -10 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
7279 | 3124 | 53 | None | -10 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL728 | 3124 | 53 | None | -10 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
DB00433 | 3124 | 53 | None | -10 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
44390733 | 62165 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 537 | 7 | 2 | 6 | 5.9 | CN(C)c1nc(NC2CCC(NCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL178084 | 62165 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 537 | 7 | 2 | 6 | 5.9 | CN(C)c1nc(NC2CCC(NCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
11342160 | 122420 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL360671 | 122420 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
11342160 | 122420 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL360671 | 122420 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
23027035 | 196870 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL578170 | 196870 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1 | 10.1016/j.bmcl.2009.09.003 | ||
240 | 931 | 39 | None | -12 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
2769 | 931 | 39 | None | -12 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
44279790 | 931 | 39 | None | -12 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
660 | 931 | 39 | None | -12 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL1729 | 931 | 39 | None | -12 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL560739 | 931 | 39 | None | -12 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
DB00604 | 931 | 39 | None | -12 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
26757 | 206239 | 29 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | nan | ||
CHEMBL972 | 206239 | 29 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | nan | ||
196129 | 67456 | 12 | None | -85 | 15 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 67456 | 12 | None | -85 | 15 | Human | 6.8 | pIC50 | = | 6.8 | 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 | ||
4011 | 81996 | 43 | None | -35 | 23 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 81996 | 43 | None | -35 | 23 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
26987 | 936 | 29 | None | -158 | 21 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 936 | 29 | None | -158 | 21 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 936 | 29 | None | -158 | 21 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 936 | 29 | None | -158 | 21 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 936 | 29 | None | -158 | 21 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
28417 | 39799 | 48 | None | -1 | 12 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
CHEMBL1479 | 39799 | 48 | None | -1 | 12 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
16215415 | 186749 | 1 | None | 3 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | ||
CHEMBL493091 | 186749 | 1 | None | 3 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | ||
10331436 | 321 | 7 | None | - | 6 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
160 | 321 | 7 | None | - | 6 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
CHEMBL133455 | 321 | 7 | None | - | 6 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
45482789 | 197247 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | ||
CHEMBL584554 | 197247 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | ||
1016 | 3690 | 75 | None | -12 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3690 | 75 | None | -12 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3690 | 75 | None | -12 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3690 | 75 | None | -12 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3690 | 75 | None | -12 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3690 | 75 | None | -12 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
3823 | 49951 | 38 | None | -40 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
76973198 | 49951 | 38 | None | -40 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL157101 | 49951 | 38 | None | -40 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
2803 | 941 | 53 | None | - | 19 | Bovine | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00123a039 | ||
516 | 941 | 53 | None | - | 19 | Bovine | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00123a039 | ||
704 | 941 | 53 | None | - | 19 | Bovine | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00123a039 | ||
CHEMBL134 | 941 | 53 | None | - | 19 | Bovine | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00123a039 | ||
DB00575 | 941 | 53 | None | - | 19 | Bovine | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00123a039 | ||
1043 | 1552 | 13 | None | -8 | 28 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 1552 | 13 | None | -8 | 28 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 1552 | 13 | None | -8 | 28 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 1552 | 13 | None | -8 | 28 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 1552 | 13 | None | -8 | 28 | Human | 8.7 | pIC50 | = | 8.7 | 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 | ||
44376975 | 55695 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162436 | 55695 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | ||
121852 | 10071 | 7 | None | - | 1 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL11592 | 10071 | 7 | None | - | 1 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL301060 | 10071 | 7 | None | - | 1 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
135 | 2496 | 38 | None | -4 | 57 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
1796 | 2496 | 38 | None | -4 | 57 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
4184 | 2496 | 38 | None | -4 | 57 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL6437 | 2496 | 38 | None | -4 | 57 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
DB06148 | 2496 | 38 | None | -4 | 57 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
45485061 | 197076 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 5 | 2 | 5 | 5.0 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL583014 | 197076 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 5 | 2 | 5 | 5.0 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
44390787 | 122050 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 5 | 2 | 5 | 4.3 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL360159 | 122050 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 5 | 2 | 5 | 4.3 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
9981024 | 95651 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL26018 | 95651 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL300735 | 95651 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
131001 | 98536 | 7 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | CCCN(CCC)C1COc2cccc(O)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL27995 | 98536 | 7 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | CCCN(CCC)C1COc2cccc(O)c2C1 | 10.1021/jm00038a007 | ||
10321248 | 98967 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 444 | 9 | 0 | 6 | 3.7 | CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL28287 | 98967 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 444 | 9 | 0 | 6 | 3.7 | CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL50722 | 98967 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 444 | 9 | 0 | 6 | 3.7 | CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10251673 | 99030 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 9 | 0 | 5 | 3.8 | CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL283207 | 99030 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 9 | 0 | 5 | 3.8 | CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL52396 | 99030 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 9 | 0 | 5 | 3.8 | CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
9978353 | 11149 | 0 | None | - | 0 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.1 | COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2 | 10.1021/jm00038a007 | ||
CHEMBL1178987 | 11149 | 0 | None | - | 0 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.1 | COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2 | 10.1021/jm00038a007 | ||
CHEMBL52785 | 11149 | 0 | None | - | 0 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.1 | COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2 | 10.1021/jm00038a007 | ||
10105405 | 95586 | 0 | None | - | 1 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 233 | 5 | 0 | 2 | 3.1 | CCCN(CCC)C1COc2ccccc2C1 | 10.1021/jm00038a007 | ||
CHEMBL25984 | 95586 | 0 | None | - | 1 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 233 | 5 | 0 | 2 | 3.1 | CCCN(CCC)C1COc2ccccc2C1 | 10.1021/jm00038a007 | ||
11743327 | 98249 | 0 | None | - | 1 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 428 | 8 | 1 | 5 | 3.9 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL27763 | 98249 | 0 | None | - | 1 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 428 | 8 | 1 | 5 | 3.9 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1 | 10.1021/jm00038a007 | ||
1577 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
164512405 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
2537 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
5355 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
5501 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
643497 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
688272 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
958 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
960 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
CHEMBL196677 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
CHEMBL26 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
CHEMBL267044 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
DB00391 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
DB16021 | 3647 | 104 | None | -2 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
657255 | 197406 | 29 | None | -10 | 15 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
CHEMBL588119 | 197406 | 29 | None | -10 | 15 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
1210 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
1213 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
2725 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
33036 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
4411 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
616 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
6976 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
716121 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
90475904 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1201353 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1554789 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL505 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB01114 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB13679 | 905 | 45 | None | -263 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
5467 | 204212 | 40 | None | -6 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | nan | ||
CHEMBL84158 | 204212 | 40 | None | -6 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | nan | ||
14151683 | 56243 | 0 | None | - | 0 | Bovine | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 229 | 2 | 0 | 2 | 2.9 | CCCN1CCC=C2c3ccccc3OCC21 | 10.1021/jm00123a039 | ||
CHEMBL163803 | 56243 | 0 | None | - | 0 | Bovine | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 229 | 2 | 0 | 2 | 2.9 | CCCN1CCC=C2c3ccccc3OCC21 | 10.1021/jm00123a039 | ||
44401616 | 69690 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL193970 | 69690 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
45484995 | 196842 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 403 | 6 | 2 | 5 | 3.5 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL577904 | 196842 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 403 | 6 | 2 | 5 | 3.5 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
5897 | 104732 | 71 | None | -7 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
CHEMBL311469 | 104732 | 71 | None | -7 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
1212 | 1632 | 45 | None | -165 | 65 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1632 | 45 | None | -165 | 65 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1632 | 45 | None | -165 | 65 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1632 | 45 | None | -165 | 65 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1632 | 45 | None | -165 | 65 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
4601 | 205020 | 29 | None | -2 | 17 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL1201023 | 205020 | 29 | None | -2 | 17 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL900 | 205020 | 29 | None | -2 | 17 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
1530 | 2151 | 44 | None | -70 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2151 | 44 | None | -70 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2151 | 44 | None | -70 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2151 | 44 | None | -70 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2151 | 44 | None | -70 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
237 | 203157 | 43 | None | -1 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL5083458 | 213091 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCCNC1COC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | ||||
25014630 | 83126 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
CHEMBL2203713 | 83126 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
2683 | 102415 | 24 | None | -12 | 16 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102415 | 24 | None | -12 | 16 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102415 | 24 | None | -12 | 16 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
14151624 | 55516 | 0 | None | - | 0 | Bovine | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 247 | 2 | 1 | 3 | 2.7 | CCCN1CCC[C@@H]2c3ccc(O)cc3OC[C@H]21 | 10.1021/jm00123a039 | ||
CHEMBL162282 | 55516 | 0 | None | - | 0 | Bovine | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 247 | 2 | 1 | 3 | 2.7 | CCCN1CCC[C@@H]2c3ccc(O)cc3OC[C@H]21 | 10.1021/jm00123a039 | ||
2337 | 3205 | 72 | None | -50 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
50 | 3205 | 72 | None | -50 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5002 | 3205 | 72 | None | -50 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
CHEMBL716 | 3205 | 72 | None | -50 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
DB01224 | 3205 | 72 | None | -50 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
1305 | 508 | 10 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
9934033 | 508 | 10 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL182150 | 508 | 10 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
4209 | 3114 | 71 | None | -3235 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4893 | 3114 | 71 | None | -3235 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
503 | 3114 | 71 | None | -3235 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
5385 | 3114 | 71 | None | -3235 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL2 | 3114 | 71 | None | -3235 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
DB00457 | 3114 | 71 | None | -3235 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
2105 | 3005 | 34 | None | -58 | 33 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
47811 | 3005 | 34 | None | -58 | 33 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
48 | 3005 | 34 | None | -58 | 33 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
CHEMBL531 | 3005 | 34 | None | -58 | 33 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
DB01186 | 3005 | 34 | None | -58 | 33 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
1782 | 2482 | 81 | None | -5 | 22 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
241 | 2482 | 81 | None | -5 | 22 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
4168 | 2482 | 81 | None | -5 | 22 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
CHEMBL86 | 2482 | 81 | None | -5 | 22 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
DB01233 | 2482 | 81 | None | -5 | 22 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
3151 | 1434 | 93 | None | -99 | 26 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
945 | 1434 | 93 | None | -99 | 26 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
965 | 1434 | 93 | None | -99 | 26 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
CHEMBL219916 | 1434 | 93 | None | -99 | 26 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
DB01184 | 1434 | 93 | None | -99 | 26 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
516 | 941 | 53 | None | -1 | 19 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
704 | 941 | 53 | None | -1 | 19 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
42 | 2032 | 50 | None | - | 17 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
56971 | 2032 | 50 | None | - | 17 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
CHEMBL8412 | 2032 | 50 | None | - | 17 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
CHEMBL5077132 | 212713 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21)C1CCOCC1 | 10.1021/acs.jmedchem.1c01564 | ||||
277 | 1274 | 55 | None | -33 | 45 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1274 | 55 | None | -33 | 45 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1274 | 55 | None | -33 | 45 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1274 | 55 | None | -33 | 45 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1274 | 55 | None | -33 | 45 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
24180125 | 95212 | 63 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 5 | 2 | 8 | 3.7 | O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 | 10.1021/jm8012954 | ||
CHEMBL257991 | 95212 | 63 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 5 | 2 | 8 | 3.7 | O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 | 10.1021/jm8012954 | ||
68617 | 203816 | 60 | None | -3 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL1709 | 203816 | 60 | None | -3 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL809 | 203816 | 60 | None | -3 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
3168 | 9172 | 84 | None | -123 | 21 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
CHEMBL1108 | 9172 | 84 | None | -123 | 21 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
1227 | 2454 | 35 | None | -91 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
2331 | 2454 | 35 | None | -91 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
3957 | 2454 | 35 | None | -91 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
4992 | 2454 | 35 | None | -91 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
CHEMBL511 | 2454 | 35 | None | -91 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
DB06691 | 2454 | 35 | None | -91 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
395 | 714 | 98 | None | -4 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
520 | 714 | 98 | None | -4 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
44376845 | 55257 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162058 | 55257 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm900458r | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm900458r | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm900458r | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm900458r | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm900458r | ||
44377006 | 57161 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165677 | 57161 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
10014217 | 99287 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 2.1 | COc1cccc2c1CC(N1CCCC1)CO2 | 10.1021/jm00038a007 | ||
CHEMBL285010 | 99287 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 2.1 | COc1cccc2c1CC(N1CCCC1)CO2 | 10.1021/jm00038a007 | ||
10019102 | 32304 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 323 | 3 | 0 | 3 | 3.7 | COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 | 10.1021/jm010992z | ||
CHEMBL141209 | 32304 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 323 | 3 | 0 | 3 | 3.7 | COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 | 10.1021/jm010992z | ||
44390385 | 122001 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 9 | 2 | 6 | 6.4 | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL360117 | 122001 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 9 | 2 | 6 | 6.4 | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
15987265 | 195212 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 5.3 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL566075 | 195212 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 5.3 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
10915140 | 29261 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.2 | COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 | 10.1021/jm010992z | ||
CHEMBL138458 | 29261 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.2 | COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 | 10.1021/jm010992z | ||
2335 | 11743 | 21 | None | -5 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
8478 | 11743 | 21 | None | -5 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
CHEMBL1182210 | 11743 | 21 | None | -5 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
CHEMBL221753 | 11743 | 21 | None | -5 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
176 | 394 | 63 | None | -3 | 31 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 394 | 63 | None | -3 | 31 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 394 | 63 | None | -3 | 31 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 394 | 63 | None | -3 | 31 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 394 | 63 | None | -3 | 31 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
44596863 | 197249 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 367 | 6 | 1 | 6 | 2.3 | C=Cc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N | 10.1021/jm900458r | ||
CHEMBL584606 | 197249 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 367 | 6 | 1 | 6 | 2.3 | C=Cc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N | 10.1021/jm900458r | ||
2284 | 3133 | 27 | None | -12 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3133 | 27 | None | -12 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3133 | 27 | None | -12 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3133 | 27 | None | -12 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3133 | 27 | None | -12 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
44390369 | 64279 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 629 | 9 | 1 | 7 | 5.9 | CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL181727 | 64279 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 629 | 9 | 1 | 7 | 5.9 | CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
3038525 | 13438 | 107 | None | -2 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 435 | 3 | 0 | 5 | 5.5 | O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl | nan | ||
CHEMBL119385 | 13438 | 107 | None | -2 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 435 | 3 | 0 | 5 | 5.5 | O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl | nan | ||
44240743 | 6679 | 15 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 370 | 7 | 2 | 3 | 4.3 | O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccc(F)cc2)nc1 | 10.1021/jm901692q | ||
CHEMBL1083787 | 6679 | 15 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 370 | 7 | 2 | 3 | 4.3 | O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccc(F)cc2)nc1 | 10.1021/jm901692q | ||
180 | 397 | 50 | None | -58 | 38 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 397 | 50 | None | -58 | 38 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 397 | 50 | None | -58 | 38 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 397 | 50 | None | -58 | 38 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 397 | 50 | None | -58 | 38 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2726 | 906 | 64 | None | -64 | 72 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | -64 | 72 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | -64 | 72 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | -64 | 72 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | -64 | 72 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL1350036 | 67455 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL1909062 | 67455 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
9807658 | 64215 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 8 | 2 | 6 | 6.1 | CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL181466 | 64215 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 8 | 2 | 6 | 6.1 | CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
14151619 | 55128 | 0 | None | - | 0 | Bovine | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 247 | 2 | 1 | 3 | 2.7 | CCCN1CCC[C@@H]2c3c(O)cccc3OC[C@H]21 | 10.1021/jm00123a039 | ||
CHEMBL161947 | 55128 | 0 | None | - | 0 | Bovine | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 247 | 2 | 1 | 3 | 2.7 | CCCN1CCC[C@@H]2c3c(O)cccc3OC[C@H]21 | 10.1021/jm00123a039 | ||
2484 | 206552 | 64 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 317 | 4 | 0 | 1 | 5.8 | CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12 | nan | ||
CHEMBL990 | 206552 | 64 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 317 | 4 | 0 | 1 | 5.8 | CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12 | nan | ||
119584 | 2557 | 99 | None | -2 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
1848 | 2557 | 99 | None | -2 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
242 | 2557 | 99 | None | -2 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
CHEMBL60889 | 2557 | 99 | None | -2 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
DB11675 | 2557 | 99 | None | -2 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
57345320 | 3772 | 6 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
9882 | 3772 | 6 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
CHEMBL3091687 | 3772 | 6 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
57345320 | 3772 | 6 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
9882 | 3772 | 6 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
CHEMBL3091687 | 3772 | 6 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
9904205 | 204135 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
CHEMBL83658 | 204135 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
9904205 | 204135 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL83658 | 204135 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
10219 | 188210 | 30 | None | -1 | 5 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 188210 | 30 | None | -1 | 5 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 188210 | 30 | None | -1 | 5 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
5472 | 204104 | 69 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
CHEMBL1717 | 204104 | 69 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
CHEMBL833 | 204104 | 69 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
2406 | 99938 | 84 | None | -16 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
CHEMBL290106 | 99938 | 84 | None | -16 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
14151652 | 96192 | 0 | None | - | 0 | Bovine | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 261 | 3 | 1 | 3 | 3.1 | CCCCN1CCC[C@@H]2c3cccc(O)c3OC[C@H]21 | 10.1021/jm00123a039 | ||
CHEMBL263574 | 96192 | 0 | None | - | 0 | Bovine | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 261 | 3 | 1 | 3 | 3.1 | CCCCN1CCC[C@@H]2c3cccc(O)c3OC[C@H]21 | 10.1021/jm00123a039 | ||
10231050 | 64003 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 6 | 2 | 6 | 5.5 | CN(C)c1nc(NC2CCC(NC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL181184 | 64003 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 6 | 2 | 6 | 5.5 | CN(C)c1nc(NC2CCC(NC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
1836 | 2554 | 56 | None | -43 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
3340 | 2554 | 56 | None | -43 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
5281040 | 2554 | 56 | None | -43 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
CHEMBL787 | 2554 | 56 | None | -43 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
DB00471 | 2554 | 56 | None | -43 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
4189 | 205195 | 91 | None | -18 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
10024943 | 96940 | 0 | None | - | 1 | Bovine | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 416 | 9 | 0 | 5 | 3.7 | CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL26975 | 96940 | 0 | None | - | 1 | Bovine | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 416 | 9 | 0 | 5 | 3.7 | CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL52485 | 96940 | 0 | None | - | 1 | Bovine | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 416 | 9 | 0 | 5 | 3.7 | CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10429859 | 11937 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 380 | 7 | 1 | 5 | 2.7 | COc1cccc2c1CC(NCCCCN1C(=O)c3ccccc3C1=O)CO2 | 10.1021/jm00038a007 | ||
CHEMBL1183429 | 11937 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 380 | 7 | 1 | 5 | 2.7 | COc1cccc2c1CC(NCCCCN1C(=O)c3ccccc3C1=O)CO2 | 10.1021/jm00038a007 | ||
CHEMBL296395 | 11937 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 380 | 7 | 1 | 5 | 2.7 | COc1cccc2c1CC(NCCCCN1C(=O)c3ccccc3C1=O)CO2 | 10.1021/jm00038a007 | ||
10092409 | 11941 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 9 | 0 | 4 | 3.7 | CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL1183479 | 11941 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 9 | 0 | 4 | 3.7 | CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL299561 | 11941 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 9 | 0 | 4 | 3.7 | CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10319624 | 98530 | 0 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 4.1 | CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL27991 | 98530 | 0 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 4.1 | CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL298534 | 98530 | 0 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 4.1 | CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
3082597 | 99098 | 8 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL283606 | 99098 | 8 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
9975915 | 99275 | 0 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 2.8 | CCCN(CCCCN1CCOCC1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL284912 | 99275 | 0 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 2.8 | CCCN(CCCCN1CCOCC1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10072866 | 195799 | 0 | None | - | 0 | Bovine | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 458 | 9 | 0 | 6 | 3.3 | CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL51561 | 195799 | 0 | None | - | 0 | Bovine | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 458 | 9 | 0 | 6 | 3.3 | CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL56990 | 195799 | 0 | None | - | 0 | Bovine | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 458 | 9 | 0 | 6 | 3.3 | CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
5318 | 15400 | 44 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1200348 | 15400 | 44 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1221 | 15400 | 44 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
5353853 | 17803 | 41 | None | -16 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
9556529 | 17803 | 41 | None | -16 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1262 | 17803 | 41 | None | -16 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
3952 | 1857 | 33 | None | -2 | 12 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5353646 | 1857 | 33 | None | -2 | 12 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5443 | 1857 | 33 | None | -2 | 12 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5702063 | 1857 | 33 | None | -2 | 12 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL1331786 | 1857 | 33 | None | -2 | 12 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL420 | 1857 | 33 | None | -2 | 12 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
135 | 2496 | 38 | None | -4 | 57 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2496 | 38 | None | -4 | 57 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2496 | 38 | None | -4 | 57 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2496 | 38 | None | -4 | 57 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2496 | 38 | None | -4 | 57 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
10660 | 14298 | 55 | None | -43 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
CHEMBL1200406 | 14298 | 55 | None | -43 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
6918276 | 15435 | 4 | None | -16 | 8 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
CHEMBL1221512 | 15435 | 4 | None | -16 | 8 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
3198 | 203802 | 73 | None | -19 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 203802 | 73 | None | -19 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 203802 | 73 | None | -19 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
19426635 | 203881 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 280 | 2 | 1 | 3 | 3.1 | CNCC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL81485 | 203881 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 280 | 2 | 1 | 3 | 3.1 | CNCC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
44390456 | 64570 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 579 | 9 | 1 | 6 | 6.7 | CN(Cc1ccc(Br)cc1OC(F)(F)F)CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL182235 | 64570 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 579 | 9 | 1 | 6 | 6.7 | CN(Cc1ccc(Br)cc1OC(F)(F)F)CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.05.121 | ||
1547484 | 927 | 70 | None | -5 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
654 | 927 | 70 | None | -5 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
9072 | 927 | 70 | None | -5 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL43064 | 927 | 70 | None | -5 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB00568 | 927 | 70 | None | -5 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1441214 | 39578 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL1476898 | 39578 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | None | nan | ||||
44390715 | 123302 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 457 | 5 | 2 | 5 | 5.2 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL362400 | 123302 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 457 | 5 | 2 | 5 | 5.2 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
11204090 | 69493 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL193771 | 69493 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
23027527 | 195117 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 5 | 2 | 5 | 3.1 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL565551 | 195117 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 5 | 2 | 5 | 3.1 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
10381889 | 106586 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
CHEMBL315772 | 106586 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
10381889 | 106586 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL315772 | 106586 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
5198 | 19235 | 46 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 247 | 4 | 1 | 3 | 2.5 | CC1CCC(NC(=O)N(CCCl)N=O)CC1 | nan | ||
CHEMBL12948 | 19235 | 46 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 247 | 4 | 1 | 3 | 2.5 | CC1CCC(NC(=O)N(CCCl)N=O)CC1 | nan | ||
2247 | 502 | 77 | None | -58 | 41 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 502 | 77 | None | -58 | 41 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 502 | 77 | None | -58 | 41 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 502 | 77 | None | -58 | 41 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 502 | 77 | None | -58 | 41 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
3117 | 206106 | 100 | None | -2 | 16 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
CHEMBL964 | 206106 | 100 | None | -2 | 16 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
1353 | 1880 | 85 | None | -190 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1880 | 85 | None | -190 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1880 | 85 | None | -190 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1880 | 85 | None | -190 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1880 | 85 | None | -190 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
44401671 | 69923 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 587 | 7 | 1 | 7 | 4.9 | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL194173 | 69923 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 587 | 7 | 1 | 7 | 4.9 | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
9980269 | 98626 | 0 | None | - | 1 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 432 | 10 | 1 | 5 | 3.4 | CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL280586 | 98626 | 0 | None | - | 1 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 432 | 10 | 1 | 5 | 3.4 | CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL54266 | 98626 | 0 | None | - | 1 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 432 | 10 | 1 | 5 | 3.4 | CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10251234 | 11141 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL1178932 | 11141 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL50530 | 11141 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10476735 | 13619 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 411 | 9 | 0 | 7 | 3.5 | CCCN(CCCCn1c(=O)oc2cccnc21)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL1195096 | 13619 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 411 | 9 | 0 | 7 | 3.5 | CCCN(CCCCn1c(=O)oc2cccnc21)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL553833 | 13619 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 411 | 9 | 0 | 7 | 3.5 | CCCN(CCCCn1c(=O)oc2cccnc21)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
10364722 | 98628 | 0 | None | - | 1 | Bovine | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL280608 | 98628 | 0 | None | - | 1 | Bovine | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL51888 | 98628 | 0 | None | - | 1 | Bovine | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
44318454 | 204290 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL84931 | 204290 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
14450361 | 55781 | 0 | None | - | 0 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 275 | 3 | 0 | 3 | 3.4 | CCCN1CCC[C@@H]2c3c(OC)cc(C)cc3OC[C@H]21 | 10.1021/jm00123a039 | ||
CHEMBL162510 | 55781 | 0 | None | - | 0 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 275 | 3 | 0 | 3 | 3.4 | CCCN1CCC[C@@H]2c3c(OC)cc(C)cc3OC[C@H]21 | 10.1021/jm00123a039 | ||
44390752 | 122480 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 5.4 | CN(C)c1nc(NC2CCN(Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL360876 | 122480 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 5.4 | CN(C)c1nc(NC2CCN(Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL508338 | 188379 | 0 | None | -6 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | None | nan | ||||
11057 | 175575 | 19 | None | -1 | 20 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 175575 | 19 | None | -1 | 20 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 175575 | 19 | None | -1 | 20 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 175575 | 19 | None | -1 | 20 | Human | 6.3 | pIC50 | = | 6.3 | 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 | ||
135398745 | 2869 | 108 | None | -93 | 65 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
47 | 2869 | 108 | None | -93 | 65 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
CHEMBL715 | 2869 | 108 | None | -93 | 65 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
DB00334 | 2869 | 108 | None | -93 | 65 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
1201549 | 590 | 22 | None | -33 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
333 | 590 | 22 | None | -33 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
7601 | 590 | 22 | None | -33 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1201203 | 590 | 22 | None | -33 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL438151 | 590 | 22 | None | -33 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
DB00245 | 590 | 22 | None | -33 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
3598 | 187238 | 73 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
CHEMBL496 | 187238 | 73 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
10243700 | 55990 | 1 | None | - | 0 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 247 | 2 | 1 | 3 | 2.7 | CCCN1CCC[C@@H]2c3cc(O)ccc3OC[C@H]21 | 10.1021/jm00123a039 | ||
CHEMBL162955 | 55990 | 1 | None | - | 0 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 247 | 2 | 1 | 3 | 2.7 | CCCN1CCC[C@@H]2c3cc(O)ccc3OC[C@H]21 | 10.1021/jm00123a039 | ||
11204090 | 63177 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(N[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL180003 | 63177 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(N[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
44401449 | 70750 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 6 | 2 | 6 | 5.0 | O=S(=O)(NC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL195346 | 70750 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 6 | 2 | 6 | 5.0 | O=S(=O)(NC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
10303307 | 64145 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 565 | 7 | 2 | 6 | 5.8 | CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL181393 | 64145 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 565 | 7 | 2 | 6 | 5.8 | CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
1549008 | 203967 | 81 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 291 | 4 | 0 | 1 | 4.9 | CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 | nan | ||
CHEMBL822 | 203967 | 81 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 291 | 4 | 0 | 1 | 4.9 | CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 | nan | ||
2520 | 202310 | 65 | None | -6 | 11 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 202310 | 65 | None | -6 | 11 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 202310 | 65 | None | -6 | 11 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
133 | 2460 | 48 | None | -23 | 42 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 2460 | 48 | None | -23 | 42 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 2460 | 48 | None | -23 | 42 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 2460 | 48 | None | -23 | 42 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 2460 | 48 | None | -23 | 42 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
44401508 | 69478 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 10 | 2 | 6 | 3.6 | CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL193666 | 69478 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 10 | 2 | 6 | 3.6 | CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.03.052 | ||
45485062 | 195492 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL567993 | 195492 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 | 10.1016/j.bmcl.2009.09.003 | ||
12488 | 1627 | 51 | None | -6 | 23 | Human | 6.2 | pIC50 | = | 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 | 1627 | 51 | None | -6 | 23 | Human | 6.2 | pIC50 | = | 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 | 1627 | 51 | None | -6 | 23 | Human | 6.2 | pIC50 | = | 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 | 1627 | 51 | None | -6 | 23 | Human | 6.2 | pIC50 | = | 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 | ||
CHEMBL1200633 | 206858 | 3 | None | -7 | 8 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
145949343 | 162382 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 6 | 2 | 4 | 3.9 | c1ccc2c(c1)CN[C@@H](CN(CC[C@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
CHEMBL4174290 | 162382 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 6 | 2 | 4 | 3.9 | c1ccc2c(c1)CN[C@@H](CN(CC[C@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
2142 | 3047 | 54 | None | -2 | 36 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
4920903 | 3047 | 54 | None | -2 | 36 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
502 | 3047 | 54 | None | -2 | 36 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
5775 | 3047 | 54 | None | -2 | 36 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
CHEMBL597 | 3047 | 54 | None | -2 | 36 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
DB00692 | 3047 | 54 | None | -2 | 36 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 4064 | 44 | None | -5 | 49 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 4064 | 44 | None | -5 | 49 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 4064 | 44 | None | -5 | 49 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 4064 | 44 | None | -5 | 49 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
73453 | 29403 | 22 | None | -3 | 17 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 29403 | 22 | None | -3 | 17 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
44390710 | 64258 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 457 | 5 | 2 | 5 | 4.9 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL181632 | 64258 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 457 | 5 | 2 | 5 | 4.9 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
10252000 | 98095 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 8 | 0 | 5 | 3.8 | CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL27650 | 98095 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 8 | 0 | 5 | 3.8 | CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL50188 | 98095 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 8 | 0 | 5 | 3.8 | CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
2162 | 41273 | 97 | None | 1 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
CHEMBL1491 | 41273 | 97 | None | 1 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
CHEMBL5082142 | 213015 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCCN1CCOCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | ||||
10357986 | 29691 | 2 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 309 | 3 | 0 | 3 | 3.9 | COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 | 10.1021/jm010992z | ||
CHEMBL138809 | 29691 | 2 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 309 | 3 | 0 | 3 | 3.9 | COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 | 10.1021/jm010992z | ||
11080 | 28872 | 74 | None | 1 | 6 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL1381098 | 28872 | 74 | None | 1 | 6 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
44390706 | 121519 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 4.6 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(Br)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL359510 | 121519 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 4.6 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(Br)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
14151702 | 56052 | 1 | None | - | 0 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 245 | 2 | 1 | 3 | 2.7 | CCCN1CCC=C2c3cc(O)ccc3OCC21 | 10.1021/jm00123a039 | ||
CHEMBL163061 | 56052 | 1 | None | - | 0 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 245 | 2 | 1 | 3 | 2.7 | CCCN1CCC=C2c3cc(O)ccc3OCC21 | 10.1021/jm00123a039 | ||
6761 | 67457 | 17 | None | -6 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
CHEMBL1909072 | 67457 | 17 | None | -6 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
1752 | 45504 | 56 | None | -2 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL153062 | 45504 | 56 | None | -2 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
2286 | 3134 | 48 | None | -13 | 29 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3134 | 48 | None | -13 | 29 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3134 | 48 | None | -13 | 29 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3134 | 48 | None | -13 | 29 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3134 | 48 | None | -13 | 29 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL1458880 | 37617 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | ||||
9895868 | 12790 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL1188966 | 12790 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL537846 | 12790 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
9895868 | 69239 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL193438 | 69239 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
134551 | 355 | 25 | None | -3 | 21 | Human | 8.1 | pIC50 | = | 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 | 355 | 25 | None | -3 | 21 | Human | 8.1 | pIC50 | = | 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 | 355 | 25 | None | -3 | 21 | Human | 8.1 | pIC50 | = | 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 | 355 | 25 | None | -3 | 21 | Human | 8.1 | pIC50 | = | 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 | ||
16718917 | 181100 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 6 | 1 | 4 | 5.0 | CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3csc4ccccc34)ccc2C1 | 10.1021/jm8009469 | ||
CHEMBL477650 | 181100 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 6 | 1 | 4 | 5.0 | CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3csc4ccccc34)ccc2C1 | 10.1021/jm8009469 | ||
168281847 | 190442 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 310 | 3 | 1 | 4 | 3.6 | COc1ccc(/C=C2\CCc3c(O)cccc3C2=O)cc1OC | 10.1016/j.ejmech.2021.113964 | ||
CHEMBL5187030 | 190442 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 310 | 3 | 1 | 4 | 3.6 | COc1ccc(/C=C2\CCc3c(O)cccc3C2=O)cc1OC | 10.1016/j.ejmech.2021.113964 | ||
14151613 | 56196 | 0 | None | - | 0 | Bovine | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 261 | 3 | 0 | 3 | 3.0 | CCCN1CCC[C@@H]2c3c(OC)cccc3OC[C@H]21 | 10.1021/jm00123a039 | ||
CHEMBL163281 | 56196 | 0 | None | - | 0 | Bovine | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 261 | 3 | 0 | 3 | 3.0 | CCCN1CCC[C@@H]2c3c(OC)cccc3OC[C@H]21 | 10.1021/jm00123a039 | ||
44390726 | 121889 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 7 | 2 | 7 | 3.9 | COc1cc(OC)cc(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL360081 | 121889 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 7 | 2 | 7 | 3.9 | COc1cc(OC)cc(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1 | 10.1016/j.bmcl.2005.05.121 | ||
23027245 | 195452 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL567791 | 195452 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
4543 | 169982 | 36 | None | -5 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL1201156 | 169982 | 36 | None | -5 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL445 | 169982 | 36 | None | -5 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
4211 | 57517 | 81 | None | -1 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
CHEMBL1670 | 57517 | 81 | None | -1 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
1028 | 287 | 69 | None | -30 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
139148732 | 287 | 69 | None | -30 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
479 | 287 | 69 | None | -30 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
5816 | 287 | 69 | None | -30 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
CHEMBL679 | 287 | 69 | None | -30 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
DB00668 | 287 | 69 | None | -30 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
44390750 | 63148 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 423 | 5 | 2 | 5 | 4.5 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL179878 | 63148 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 423 | 5 | 2 | 5 | 4.5 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
14151647 | 55374 | 1 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 247 | 2 | 1 | 3 | 2.7 | CCCN1CCC[C@@H]2c3cccc(O)c3OC[C@H]21 | 10.1021/jm00123a039 | ||
CHEMBL162170 | 55374 | 1 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 247 | 2 | 1 | 3 | 2.7 | CCCN1CCC[C@@H]2c3cccc(O)c3OC[C@H]21 | 10.1021/jm00123a039 | ||
3082597 | 99098 | 8 | None | - | 1 | Bovine | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL283606 | 99098 | 8 | None | - | 1 | Bovine | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
12575 | 1957 | 28 | None | -5 | 16 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
54459 | 1957 | 28 | None | -5 | 16 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL10316 | 1957 | 28 | None | -5 | 16 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pIC50 | = | 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 | 10.1016/j.bmcl.2013.01.025 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pIC50 | = | 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 | 10.1016/j.bmcl.2013.01.025 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pIC50 | = | 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 | 10.1016/j.bmcl.2013.01.025 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pIC50 | = | 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 | 10.1016/j.bmcl.2013.01.025 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.1 | pIC50 | = | 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 | 10.1016/j.bmcl.2013.01.025 | ||
118112300 | 155453 | 12 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | ||
CHEMBL4061793 | 155453 | 12 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | ||
CHEMBL5093818 | 213670 | 3 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21)C1CCC(F)(F)CC1 | 10.1021/acs.jmedchem.1c01564 | ||||
3191 | 102385 | 93 | None | -8 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL305660 | 102385 | 93 | None | -8 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
1816 | 2504 | 99 | None | -33 | 16 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
4205 | 2504 | 99 | None | -33 | 16 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
7241 | 2504 | 99 | None | -33 | 16 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL654 | 2504 | 99 | None | -33 | 16 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
DB00370 | 2504 | 99 | None | -33 | 16 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
44401460 | 70563 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 391 | 7 | 2 | 6 | 2.5 | CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL195123 | 70563 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 391 | 7 | 2 | 6 | 2.5 | CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
14151595 | 56217 | 0 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 231 | 2 | 0 | 2 | 3.0 | CCCN1CCC[C@@H]2c3ccccc3OC[C@H]21 | 10.1021/jm00123a039 | ||
CHEMBL163532 | 56217 | 0 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 231 | 2 | 0 | 2 | 3.0 | CCCN1CCC[C@@H]2c3ccccc3OC[C@H]21 | 10.1021/jm00123a039 | ||
70788951 | 26948 | 1 | None | -1 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL1366 | 26948 | 1 | None | -1 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | None | nan | ||||
46227396 | 199955 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 4 | 2 | 6 | 3.4 | O=S(=O)(Nc1ccc2c(c1)C(C1CCNC1)=CC2)c1c(Cl)nc2sccn12 | 10.1016/j.bmc.2009.08.006 | ||
CHEMBL605938 | 199955 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 4 | 2 | 6 | 3.4 | O=S(=O)(Nc1ccc2c(c1)C(C1CCNC1)=CC2)c1c(Cl)nc2sccn12 | 10.1016/j.bmc.2009.08.006 | ||
42636941 | 178371 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
CHEMBL470432 | 178371 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
8447 | 188362 | 80 | None | -4 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
CHEMBL508112 | 188362 | 80 | None | -4 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
2389 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
44390499 | 129135 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 6.0 | CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL367355 | 129135 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 6.0 | CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
135398737 | 944 | 89 | None | -26 | 91 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 944 | 89 | None | -26 | 91 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 944 | 89 | None | -26 | 91 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 944 | 89 | None | -26 | 91 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 944 | 89 | None | -26 | 91 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
213 | 3792 | 50 | None | -6 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2717 | 3792 | 50 | None | -6 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5533 | 3792 | 50 | None | -6 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
CHEMBL621 | 3792 | 50 | None | -6 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
DB00656 | 3792 | 50 | None | -6 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
3082597 | 99098 | 8 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
CHEMBL283606 | 99098 | 8 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
36324 | 26916 | 71 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 4.9 | Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1 | nan | ||
CHEMBL1365675 | 26916 | 71 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 4.9 | Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1 | nan | ||
1548953 | 205945 | 24 | None | -1 | 17 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
CHEMBL954 | 205945 | 24 | None | -1 | 17 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
14450364 | 55712 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 247 | 1 | 0 | 3 | 2.6 | COc1cc(C)cc2c1[C@H]1CCCN(C)[C@@H]1CO2 | 10.1021/jm00123a039 | ||
CHEMBL162449 | 55712 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 247 | 1 | 0 | 3 | 2.6 | COc1cc(C)cc2c1[C@H]1CCCN(C)[C@@H]1CO2 | 10.1021/jm00123a039 | ||
44390768 | 64143 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 434 | 6 | 2 | 7 | 3.8 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL181383 | 64143 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 434 | 6 | 2 | 7 | 3.8 | CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
1562 | 886 | 8 | None | - | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
5312114 | 886 | 8 | None | - | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL17645 | 886 | 8 | None | - | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL195380 | 886 | 8 | None | - | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
441383 | 20133 | 54 | None | -2 | 17 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 20133 | 54 | None | -2 | 17 | Human | 6.0 | pIC50 | = | 6.0 | 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 | ||
164612037 | 184795 | 0 | None | -11 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL4860528 | 184795 | 0 | None | -11 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
168290235 | 192366 | 0 | None | -40 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5201074 | 192366 | 0 | None | -40 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222491 | 192366 | 0 | None | -40 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
168294767 | 192417 | 0 | None | -11 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207281 | 192417 | 0 | None | -11 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222802 | 192417 | 0 | None | -11 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168295528 | 192429 | 0 | None | -11 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5206565 | 192429 | 0 | None | -11 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222872 | 192429 | 0 | None | -11 | 20 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
118714540 | 114013 | 0 | None | 5 | 4 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 677 | 13 | 6 | 15 | 1.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(C)=O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/ml5002486 | ||
CHEMBL3335523 | 114013 | 0 | None | 5 | 4 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 677 | 13 | 6 | 15 | 1.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(C)=O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/ml5002486 | ||
10220232 | 99260 | 5 | None | 54 | 6 | Rat | 11.1 | pKi | = | 11.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | ||
CHEMBL284795 | 99260 | 5 | None | 54 | 6 | Rat | 11.1 | pKi | = | 11.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | ||
521 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm990569e | ||
5311068 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm990569e | ||
835 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm990569e | ||
CHEMBL778 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm990569e | ||
DB00633 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm990569e | ||
521 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
5311068 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
835 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
CHEMBL778 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
DB00633 | 1377 | 64 | None | -2 | 7 | Rat | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
49781228 | 17023 | 1 | None | 2 | 4 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
CHEMBL1256414 | 17023 | 1 | None | 2 | 4 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
155540329 | 171908 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 426 | 7 | 0 | 6 | 4.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4482861 | 171908 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 426 | 7 | 0 | 6 | 4.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
78114674 | 173154 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 380 | 7 | 0 | 7 | 2.5 | CCOP(=O)(OCC)C1N=CC2C(=O)N(c3ccc(OC)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4536304 | 173154 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 380 | 7 | 0 | 7 | 2.5 | CCOP(=O)(OCC)C1N=CC2C(=O)N(c3ccc(OC)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
155513359 | 169196 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 471 | 8 | 0 | 8 | 3.9 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4438801 | 169196 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 471 | 8 | 0 | 8 | 3.9 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
49781228 | 17023 | 1 | None | 2 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
CHEMBL1256414 | 17023 | 1 | None | 2 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
49781228 | 17023 | 1 | None | 2 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
CHEMBL1256414 | 17023 | 1 | None | 2 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
11271808 | 60669 | 0 | None | 1 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 490 | 9 | 0 | 7 | 3.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL176261 | 60669 | 0 | None | 1 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 490 | 9 | 0 | 7 | 3.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
11306100 | 167942 | 0 | None | -3 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 477 | 9 | 0 | 7 | 3.5 | COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL435352 | 167942 | 0 | None | -3 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 477 | 9 | 0 | 7 | 3.5 | COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
1588 | 2294 | 24 | None | 2 | 43 | Human | 9.9 | pKi | = | 9.9 | 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 | 2294 | 24 | None | 2 | 43 | Human | 9.9 | pKi | = | 9.9 | 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 | 2294 | 24 | None | 2 | 43 | Human | 9.9 | pKi | = | 9.9 | 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 | 2294 | 24 | None | 2 | 43 | Human | 9.9 | pKi | = | 9.9 | 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 | 2294 | 24 | None | 2 | 43 | Human | 9.9 | pKi | = | 9.9 | 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 | ||
52944548 | 16971 | 0 | None | 1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1255723 | 16971 | 0 | None | 1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
52941512 | 17016 | 0 | None | 1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256378 | 17016 | 0 | None | 1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
135519400 | 63563 | 0 | None | -1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 419 | 5 | 1 | 6 | 3.2 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL180470 | 63563 | 0 | None | -1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 419 | 5 | 1 | 6 | 3.2 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
49781222 | 17069 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256609 | 17069 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
46224879 | 199862 | 3 | None | -1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 302 | 2 | 0 | 2 | 4.6 | Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
CHEMBL605405 | 199862 | 3 | None | -1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 302 | 2 | 0 | 2 | 4.6 | Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
44330168 | 4254 | 0 | None | -1 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL100879 | 4254 | 0 | None | -1 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
11225779 | 107246 | 0 | None | -1 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL319119 | 107246 | 0 | None | -1 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324972 | 162820 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL419316 | 162820 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324972 | 162820 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL419316 | 162820 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324800 | 205220 | 0 | None | -5 | 7 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL91157 | 205220 | 0 | None | -5 | 7 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324972 | 162820 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL419316 | 162820 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
44324800 | 205220 | 0 | None | -5 | 7 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL91157 | 205220 | 0 | None | -5 | 7 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
78114597 | 171917 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 356 | 6 | 0 | 6 | 2.6 | CCOP(=O)(OCC)C1N=CC2C(=O)N(C3CCCCC3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4483022 | 171917 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 356 | 6 | 0 | 6 | 2.6 | CCOP(=O)(OCC)C1N=CC2C(=O)N(C3CCCCC3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
49781887 | 16963 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
CHEMBL1255617 | 16963 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
9837136 | 99476 | 2 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3ccsc32)c[nH]1 | 10.1021/jm990569e | ||
CHEMBL286269 | 99476 | 2 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3ccsc32)c[nH]1 | 10.1021/jm990569e | ||
9837136 | 99476 | 2 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3ccsc32)c[nH]1 | 10.1021/jm000128r | ||
CHEMBL286269 | 99476 | 2 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3ccsc32)c[nH]1 | 10.1021/jm000128r | ||
108094 | 3368 | 22 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
526 | 3368 | 22 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
528 | 3368 | 22 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL10332 | 3368 | 22 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
10531 | 1392 | 18 | None | -5 | 24 | Human | 9.4 | pKi | = | 9.4 | 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 | 1392 | 18 | None | -5 | 24 | Human | 9.4 | pKi | = | 9.4 | 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 | 1392 | 18 | None | -5 | 24 | Human | 9.4 | pKi | = | 9.4 | 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 | 1392 | 18 | None | -5 | 24 | Human | 9.4 | pKi | = | 9.4 | 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 | 1392 | 18 | None | -5 | 24 | Human | 9.4 | pKi | = | 9.4 | 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 | ||
10056237 | 13632 | 0 | None | 47 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 817 | 13 | 6 | 6 | 7.3 | O=C(NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1195197 | 13632 | 0 | None | 47 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 817 | 13 | 6 | 6 | 7.3 | O=C(NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL554019 | 13632 | 0 | None | 47 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 817 | 13 | 6 | 6 | 7.3 | O=C(NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
2803 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
516 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
704 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
CHEMBL134 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
DB00575 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
2803 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
516 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
704 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
CHEMBL134 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
DB00575 | 941 | 53 | None | 1 | 19 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
11259744 | 60472 | 0 | None | -1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.4 | CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL176116 | 60472 | 0 | None | -1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.4 | CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
52948958 | 16972 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1255724 | 16972 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 9.4 | pKi | = | 9.4 | 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 | 10.1016/s0960-894x(00)00068-8 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 9.4 | pKi | = | 9.4 | 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 | 10.1016/s0960-894x(00)00068-8 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 9.4 | pKi | = | 9.4 | 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 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 9.4 | pKi | = | 9.4 | 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 | 10.1016/s0960-894x(00)00068-8 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 9.4 | pKi | = | 9.4 | 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 | 10.1016/s0960-894x(00)00068-8 | ||
52943739 | 16978 | 0 | None | 2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | ||
CHEMBL1255771 | 16978 | 0 | None | 2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | ||
44387789 | 60251 | 0 | None | -2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 433 | 6 | 0 | 6 | 3.5 | COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL176002 | 60251 | 0 | None | -2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 433 | 6 | 0 | 6 | 3.5 | COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
44330114 | 107596 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL319530 | 107596 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324906 | 205060 | 0 | None | 3 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90247 | 205060 | 0 | None | 3 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
49781223 | 17070 | 0 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256610 | 17070 | 0 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
9815633 | 99174 | 2 | None | 6 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | ||
CHEMBL284213 | 99174 | 2 | None | 6 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | ||
9815633 | 99174 | 2 | None | 6 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | ||
CHEMBL284213 | 99174 | 2 | None | 6 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | ||
49781005 | 17032 | 0 | None | 3 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256503 | 17032 | 0 | None | 3 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
49781887 | 16963 | 0 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
CHEMBL1255617 | 16963 | 0 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
11214030 | 60220 | 0 | None | -3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 491 | 8 | 0 | 8 | 3.1 | COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL175853 | 60220 | 0 | None | -3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 491 | 8 | 0 | 8 | 3.1 | COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
107715 | 199260 | 18 | None | -6 | 20 | Human | 9.1 | pKi | = | 9.1 | 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 | 199260 | 18 | None | -6 | 20 | Human | 9.1 | pKi | = | 9.1 | 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 | 199260 | 18 | None | -6 | 20 | Human | 9.1 | pKi | = | 9.1 | 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 | ||
11765813 | 12869 | 0 | None | 60 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 788 | 11 | 6 | 6 | 6.5 | O=C(NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1189483 | 12869 | 0 | None | 60 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 788 | 11 | 6 | 6 | 6.5 | O=C(NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL538808 | 12869 | 0 | None | 60 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 788 | 11 | 6 | 6 | 6.5 | O=C(NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
13938361 | 184781 | 0 | None | 141 | 2 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
CHEMBL48603 | 184781 | 0 | None | 141 | 2 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
1043 | 1552 | 13 | None | -8 | 28 | Human | 9.1 | pKi | = | 9.1 | 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 | 1552 | 13 | None | -8 | 28 | Human | 9.1 | pKi | = | 9.1 | 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 | 1552 | 13 | None | -8 | 28 | Human | 9.1 | pKi | = | 9.1 | 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 | 1552 | 13 | None | -8 | 28 | Human | 9.1 | pKi | = | 9.1 | 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 | 1552 | 13 | None | -8 | 28 | Human | 9.1 | pKi | = | 9.1 | 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 | ||
44324800 | 205220 | 0 | None | -5 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL91157 | 205220 | 0 | None | -5 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324887 | 164463 | 0 | None | 2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL422597 | 164463 | 0 | None | 2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44325050 | 205550 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL93171 | 205550 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44126269 | 199799 | 4 | None | -2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 318 | 3 | 0 | 2 | 4.5 | Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1 | 10.1016/j.bmcl.2009.11.037 | ||
CHEMBL605081 | 199799 | 4 | None | -2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 318 | 3 | 0 | 2 | 4.5 | Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1 | 10.1016/j.bmcl.2009.11.037 | ||
49781224 | 16962 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1255616 | 16962 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
12114852 | 13209 | 0 | None | 31 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 774 | 10 | 6 | 6 | 6.1 | O=C(NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1192051 | 13209 | 0 | None | 31 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 774 | 10 | 6 | 6 | 6.1 | O=C(NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL543232 | 13209 | 0 | None | 31 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 774 | 10 | 6 | 6 | 6.1 | O=C(NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
11785068 | 60232 | 0 | None | -2 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 487 | 7 | 0 | 7 | 3.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL175911 | 60232 | 0 | None | -2 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 487 | 7 | 0 | 7 | 3.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
11260018 | 63528 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 7 | 0 | 7 | 3.6 | C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL180322 | 63528 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 7 | 0 | 7 | 3.6 | C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
71450907 | 78529 | 0 | None | 1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL2112978 | 78529 | 0 | None | 1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
44324937 | 205186 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90943 | 205186 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
2142 | 3047 | 54 | None | 1 | 36 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
4920903 | 3047 | 54 | None | 1 | 36 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
502 | 3047 | 54 | None | 1 | 36 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
5775 | 3047 | 54 | None | 1 | 36 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
CHEMBL597 | 3047 | 54 | None | 1 | 36 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
DB00692 | 3047 | 54 | None | 1 | 36 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
155547631 | 173122 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 432 | 7 | 0 | 6 | 4.1 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(C3CCCCC3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4535472 | 173122 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 432 | 7 | 0 | 6 | 4.1 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(C3CCCCC3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
11318438 | 165431 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 524 | 7 | 0 | 8 | 4.1 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL425324 | 165431 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 524 | 7 | 0 | 8 | 4.1 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
9805944 | 55934 | 31 | None | -1 | 9 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
CHEMBL1627 | 55934 | 31 | None | -1 | 9 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
44330635 | 206684 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL99868 | 206684 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 | 10.1016/j.bmcl.2004.03.031 | ||
52950140 | 16977 | 0 | None | 1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1255770 | 16977 | 0 | None | 1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
44330668 | 4370 | 0 | None | -5 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL101596 | 4370 | 0 | None | -5 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330617 | 96172 | 0 | None | -5 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL263424 | 96172 | 0 | None | -5 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44371848 | 13514 | 0 | None | 15 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 845 | 15 | 6 | 6 | 8.1 | O=C(NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1194334 | 13514 | 0 | None | 15 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 845 | 15 | 6 | 6 | 8.1 | O=C(NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL551711 | 13514 | 0 | None | 15 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 845 | 15 | 6 | 6 | 8.1 | O=C(NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
9837551 | 101153 | 0 | None | 7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCO2 | 10.1021/jm960359r | ||
CHEMBL298936 | 101153 | 0 | None | 7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCO2 | 10.1021/jm960359r | ||
12114853 | 12918 | 0 | None | 35 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 803 | 12 | 6 | 6 | 6.9 | O=C(NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1189875 | 12918 | 0 | None | 35 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 803 | 12 | 6 | 6 | 6.9 | O=C(NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL539606 | 12918 | 0 | None | 35 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 803 | 12 | 6 | 6 | 6.9 | O=C(NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
10847653 | 57144 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 240 | 0 | 1 | 2 | 2.6 | C1=NC[C@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1 | 10.1021/jm001040g | ||
CHEMBL165529 | 57144 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 240 | 0 | 1 | 2 | 2.6 | C1=NC[C@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1 | 10.1021/jm001040g | ||
11785961 | 62950 | 0 | None | -6 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 535 | 13 | 0 | 8 | 4.0 | CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL179237 | 62950 | 0 | None | -6 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 535 | 13 | 0 | 8 | 4.0 | CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
11190988 | 131281 | 0 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 487 | 7 | 0 | 6 | 4.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL369378 | 131281 | 0 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 487 | 7 | 0 | 6 | 4.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
136019934 | 143997 | 0 | None | -7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL390718 | 143997 | 0 | None | -7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
44324737 | 205508 | 0 | None | -2 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL92860 | 205508 | 0 | None | -2 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324737 | 205508 | 0 | None | -2 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL92860 | 205508 | 0 | None | -2 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
10123375 | 13139 | 0 | None | 123 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 760 | 9 | 6 | 6 | 5.8 | O=C(NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1191431 | 13139 | 0 | None | 123 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 760 | 9 | 6 | 6 | 5.8 | O=C(NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL542527 | 13139 | 0 | None | 123 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 760 | 9 | 6 | 6 | 5.8 | O=C(NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
13938356 | 184495 | 0 | None | 154 | 2 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN(C1CCN2CCc3c(oc4ccccc34)C2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
CHEMBL48558 | 184495 | 0 | None | 154 | 2 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN(C1CCN2CCc3c(oc4ccccc34)C2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
44330369 | 111093 | 0 | None | -4 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL328195 | 111093 | 0 | None | -4 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.9 | pKi | = | 8.9 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.9 | pKi | = | 8.9 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.9 | pKi | = | 8.9 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.9 | pKi | = | 8.9 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.9 | pKi | = | 8.9 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
44325049 | 111035 | 0 | None | -2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL327875 | 111035 | 0 | None | -2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
10707358 | 178705 | 0 | None | 4 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.2 | c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL47313 | 178705 | 0 | None | 4 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.2 | c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
12575 | 1957 | 28 | None | 1 | 16 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm00366a007 | ||
54459 | 1957 | 28 | None | 1 | 16 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm00366a007 | ||
CHEMBL10316 | 1957 | 28 | None | 1 | 16 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm00366a007 | ||
9815610 | 99471 | 15 | None | 13 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2ccsc2CC1 | 10.1021/jm990569e | ||
CHEMBL286246 | 99471 | 15 | None | 13 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2ccsc2CC1 | 10.1021/jm990569e | ||
124 | 2933 | 44 | None | -5 | 32 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
2032 | 2933 | 44 | None | -5 | 32 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
4636 | 2933 | 44 | None | -5 | 32 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
CHEMBL762 | 2933 | 44 | None | -5 | 32 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
DB00935 | 2933 | 44 | None | -5 | 32 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
9815610 | 99471 | 15 | None | 13 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2ccsc2CC1 | 10.1021/jm000128r | ||
CHEMBL286246 | 99471 | 15 | None | 13 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2ccsc2CC1 | 10.1021/jm000128r | ||
11200476 | 78521 | 0 | None | 2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL2112970 | 78521 | 0 | None | 2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
9837600 | 23117 | 0 | None | 12 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 236 | 0 | 1 | 3 | 1.9 | NC1=NC2(CCc3cccc(Cl)c3C2)CO1 | 10.1021/jm00020a021 | ||
CHEMBL133231 | 23117 | 0 | None | 12 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 236 | 0 | 1 | 3 | 1.9 | NC1=NC2(CCc3cccc(Cl)c3C2)CO1 | 10.1021/jm00020a021 | ||
46891598 | 7097 | 0 | None | 2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2010.04.099 | ||
CHEMBL1085510 | 7097 | 0 | None | 2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2010.04.099 | ||
42266865 | 15427 | 2 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 6 | 1 | 4 | 3.4 | COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL1221498 | 15427 | 2 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 6 | 1 | 4 | 3.4 | COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
2142 | 3047 | 54 | None | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/np50094a001 | ||
4920903 | 3047 | 54 | None | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/np50094a001 | ||
502 | 3047 | 54 | None | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/np50094a001 | ||
5775 | 3047 | 54 | None | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/np50094a001 | ||
CHEMBL597 | 3047 | 54 | None | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/np50094a001 | ||
DB00692 | 3047 | 54 | None | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/np50094a001 | ||
10176999 | 103079 | 14 | None | 11 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
CHEMBL308570 | 103079 | 14 | None | 11 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
44330653 | 206491 | 0 | None | -8 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL98646 | 206491 | 0 | None | -8 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330645 | 206692 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL99916 | 206692 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
10350094 | 13705 | 0 | None | 77 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 746 | 8 | 6 | 6 | 5.4 | O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1195716 | 13705 | 0 | None | 77 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 746 | 8 | 6 | 6 | 5.4 | O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL555190 | 13705 | 0 | None | 77 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 746 | 8 | 6 | 6 | 5.4 | O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
49781005 | 17032 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256503 | 17032 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
13123525 | 188609 | 0 | None | - | 1 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 265 | 4 | 1 | 3 | 3.1 | Cc1ccc(N(CC2=NCCN2)c2ccccc2)cc1 | 10.1021/jm00366a022 | ||
CHEMBL51131 | 188609 | 0 | None | - | 1 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 265 | 4 | 1 | 3 | 3.1 | Cc1ccc(N(CC2=NCCN2)c2ccccc2)cc1 | 10.1021/jm00366a022 | ||
13123534 | 188863 | 1 | None | - | 1 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/jm00366a022 | ||
CHEMBL51358 | 188863 | 1 | None | - | 1 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/jm00366a022 | ||
71461647 | 78523 | 0 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 5 | 0 | 5 | 4.4 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
CHEMBL2112972 | 78523 | 0 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 5 | 0 | 5 | 4.4 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
71456240 | 78532 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 415 | 6 | 0 | 5 | 3.8 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL2112982 | 78532 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 415 | 6 | 0 | 5 | 3.8 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
12576 | 511 | 87 | None | -2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
71310 | 511 | 87 | None | -2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
CHEMBL353972 | 511 | 87 | None | -2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
DB11481 | 511 | 87 | None | -2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
44330368 | 111700 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL329065 | 111700 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
108094 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1016/j.ejmech.2014.05.057 | ||
526 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1016/j.ejmech.2014.05.057 | ||
528 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL10332 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1016/j.ejmech.2014.05.057 | ||
42631003 | 197937 | 10 | None | -10 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 304 | 3 | 0 | 2 | 4.2 | Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
CHEMBL592752 | 197937 | 10 | None | -10 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 304 | 3 | 0 | 2 | 4.2 | Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
10198135 | 203415 | 3 | None | 43 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 203 | 3 | 2 | 3 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1 | 10.1021/jm9605142 | ||
CHEMBL77913 | 203415 | 3 | None | 43 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 203 | 3 | 2 | 3 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1 | 10.1021/jm9605142 | ||
2389 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
5073 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
96 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
CHEMBL85 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
DB00734 | 3279 | 114 | None | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
44401243 | 167929 | 0 | None | -4 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL435301 | 167929 | 0 | None | -4 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
49836302 | 18379 | 1 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276139 | 18379 | 1 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
10176715 | 156592 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 212 | 2 | 1 | 2 | 2.4 | C1=NCC(CC2=Cc3ccccc3CC2)N1 | 10.1021/jm001040g | ||
CHEMBL407509 | 156592 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 212 | 2 | 1 | 2 | 2.4 | C1=NCC(CC2=Cc3ccccc3CC2)N1 | 10.1021/jm001040g | ||
242 | 467 | 117 | None | -26 | 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 | 467 | 117 | None | -26 | 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 | 467 | 117 | None | -26 | 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 | 467 | 117 | None | -26 | 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 | 467 | 117 | None | -26 | 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 | ||
250 | 3334 | 5 | None | -2818 | 13 | Human | 7.0 | pKi | = | 7 | 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 | 3334 | 5 | None | -2818 | 13 | Human | 7.0 | pKi | = | 7 | 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 | 3334 | 5 | None | -2818 | 13 | Human | 7.0 | pKi | = | 7 | 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 | ||
135398737 | 944 | 89 | None | -10 | 91 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | ||
38 | 944 | 89 | None | -10 | 91 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | ||
722 | 944 | 89 | None | -10 | 91 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | ||
CHEMBL42 | 944 | 89 | None | -10 | 91 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | ||
DB00363 | 944 | 89 | None | -10 | 91 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.ejmech.2012.08.011 | ||
49836302 | 18379 | 1 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276139 | 18379 | 1 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
49836302 | 18379 | 1 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1276139 | 18379 | 1 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
13938357 | 101260 | 0 | None | 79 | 2 | Bovine | 7.0 | pKi | = | 7 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN([C@H]1CCN2CCc3c(oc4ccccc34)[C@H]2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
CHEMBL299595 | 101260 | 0 | None | 79 | 2 | Bovine | 7.0 | pKi | = | 7 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN([C@H]1CCN2CCc3c(oc4ccccc34)[C@H]2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
135398737 | 944 | 89 | None | -26 | 91 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
38 | 944 | 89 | None | -26 | 91 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
722 | 944 | 89 | None | -26 | 91 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
CHEMBL42 | 944 | 89 | None | -26 | 91 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
DB00363 | 944 | 89 | None | -26 | 91 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
135398745 | 2869 | 108 | None | -93 | 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 | 2869 | 108 | None | -93 | 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 | 2869 | 108 | None | -93 | 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 | 2869 | 108 | None | -93 | 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 | ||
2389 | 3279 | 114 | None | -69 | 67 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
5073 | 3279 | 114 | None | -69 | 67 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
96 | 3279 | 114 | None | -69 | 67 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
CHEMBL85 | 3279 | 114 | None | -69 | 67 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
DB00734 | 3279 | 114 | None | -69 | 67 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
90644728 | 112255 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 229 | 1 | 2 | 1 | 2.1 | CC1CN/C(=N/c2ccc3c(c2)CCCC3)N1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289543 | 112255 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 229 | 1 | 2 | 1 | 2.1 | CC1CN/C(=N/c2ccc3c(c2)CCCC3)N1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305161 | 112255 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 229 | 1 | 2 | 1 | 2.1 | CC1CN/C(=N/c2ccc3c(c2)CCCC3)N1 | 10.1016/j.ejmech.2014.05.057 | ||
16090600 | 168615 | 0 | None | -10 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL440594 | 168615 | 0 | None | -10 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1021/jm060262x | ||
10324985 | 76428 | 7 | None | -741 | 17 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
CHEMBL199824 | 76428 | 7 | None | -741 | 17 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
CHEMBL2068762 | 76428 | 7 | None | -741 | 17 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
127035062 | 135928 | 0 | None | -3 | 19 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735756 | 135928 | 0 | None | -3 | 19 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
10443343 | 18314 | 1 | None | - | 1 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 217 | 1 | 0 | 5 | 0.5 | CN1CCN(c2nccn3ccnc23)CC1 | 10.1021/jm00099a012 | ||
CHEMBL127303 | 18314 | 1 | None | - | 1 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 217 | 1 | 0 | 5 | 0.5 | CN1CCN(c2nccn3ccnc23)CC1 | 10.1021/jm00099a012 | ||
1782 | 2482 | 81 | None | -5 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
241 | 2482 | 81 | None | -5 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
4168 | 2482 | 81 | None | -5 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
CHEMBL86 | 2482 | 81 | None | -5 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
DB01233 | 2482 | 81 | None | -5 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
44574076 | 171894 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL448147 | 171894 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
9960497 | 116574 | 0 | None | -309 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | 116574 | 0 | None | -309 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
57395731 | 70846 | 0 | None | 6 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956202 | 70846 | 0 | None | 6 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
44312037 | 202913 | 1 | None | 1 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL73392 | 202913 | 1 | None | 1 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
3151 | 1434 | 93 | None | -99 | 26 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
945 | 1434 | 93 | None | -99 | 26 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
965 | 1434 | 93 | None | -99 | 26 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
CHEMBL219916 | 1434 | 93 | None | -99 | 26 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
DB01184 | 1434 | 93 | None | -99 | 26 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
12909387 | 62308 | 0 | None | -33 | 2 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 0 | 0 | 3 | 3.8 | CN1CCC(=C2c3cc(C#N)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL178376 | 62308 | 0 | None | -33 | 2 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 0 | 0 | 3 | 3.8 | CN1CCC(=C2c3cc(C#N)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
9904117 | 9312 | 3 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111554 | 9312 | 3 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
11091738 | 117589 | 0 | None | -1584 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 4.9 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2cn1 | 10.1021/jm0211220 | ||
CHEMBL340641 | 117589 | 0 | None | -1584 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 4.9 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2cn1 | 10.1021/jm0211220 | ||
57402718 | 70845 | 2 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956201 | 70845 | 2 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
516 | 941 | 53 | None | -1 | 19 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
704 | 941 | 53 | None | -1 | 19 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
16090624 | 81989 | 0 | None | -13 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
CHEMBL217278 | 81989 | 0 | None | -13 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
4209 | 3114 | 71 | None | -173 | 33 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
4893 | 3114 | 71 | None | -173 | 33 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
503 | 3114 | 71 | None | -173 | 33 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
5385 | 3114 | 71 | None | -173 | 33 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
CHEMBL2 | 3114 | 71 | None | -173 | 33 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
DB00457 | 3114 | 71 | None | -173 | 33 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
277 | 1274 | 55 | None | -33 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1274 | 55 | None | -33 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1274 | 55 | None | -33 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1274 | 55 | None | -33 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1274 | 55 | None | -33 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
1268096 | 15989 | 21 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
CHEMBL122404 | 15989 | 21 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
90644708 | 112245 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 5 | 3 | 3 | 2.4 | CCNc1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289530 | 112245 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 5 | 3 | 3 | 2.4 | CCNc1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304993 | 112245 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 5 | 3 | 3 | 2.4 | CCNc1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
68617 | 203816 | 60 | None | -3 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL1709 | 203816 | 60 | None | -3 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL809 | 203816 | 60 | None | -3 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
10769331 | 111045 | 0 | None | -208 | 6 | Human | 7.0 | pKi | = | 7.0 | 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 | 111045 | 0 | None | -208 | 6 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
197033 | 197473 | 58 | None | -13 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 319 | 3 | 0 | 3 | 3.9 | Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
CHEMBL589390 | 197473 | 58 | None | -13 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 319 | 3 | 0 | 3 | 3.9 | Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
13298529 | 100749 | 50 | None | 134 | 2 | Bovine | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 241 | 1 | 1 | 3 | 1.3 | Brc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL295921 | 100749 | 50 | None | 134 | 2 | Bovine | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 241 | 1 | 1 | 3 | 1.3 | Brc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
71456238 | 78528 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 504 | 9 | 0 | 7 | 4.4 | COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL2112977 | 78528 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 504 | 9 | 0 | 7 | 4.4 | COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
46934426 | 15449 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 431 | 9 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL1221591 | 15449 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 431 | 9 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
49781004 | 17031 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256502 | 17031 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
44371755 | 48513 | 0 | None | 15 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL155866 | 48513 | 0 | None | 15 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
90469115 | 185260 | 2 | None | -36 | 17 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | ||
CHEMBL4867565 | 185260 | 2 | None | -36 | 17 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | ||
9809007 | 171996 | 6 | None | -1905 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | 171996 | 6 | None | -1905 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
10109188 | 165522 | 0 | None | -43 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | ||
CHEMBL425803 | 165522 | 0 | None | -43 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | ||
44574103 | 172019 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 2 | 0 | 4 | 2.4 | c1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL448908 | 172019 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 2 | 0 | 4 | 2.4 | c1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
162661022 | 180866 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 485 | 9 | 5 | 11 | 0.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4764318 | 180866 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 485 | 9 | 5 | 11 | 0.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
3168 | 9172 | 84 | None | -123 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
CHEMBL1108 | 9172 | 84 | None | -123 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
1227 | 2454 | 35 | None | -91 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
2331 | 2454 | 35 | None | -91 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
3957 | 2454 | 35 | None | -91 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
4992 | 2454 | 35 | None | -91 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
CHEMBL511 | 2454 | 35 | None | -91 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
DB06691 | 2454 | 35 | None | -91 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
395 | 714 | 98 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
520 | 714 | 98 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
44574079 | 188720 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL512289 | 188720 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
10531766 | 205269 | 0 | None | -999 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | 205269 | 0 | None | -999 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
62381476 | 112270 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 4 | 3 | 2 | 2.1 | CCCNC(=N)Nc1ccc(N(C)C)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289536 | 112270 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 4 | 3 | 2 | 2.1 | CCCNC(=N)Nc1ccc(N(C)C)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305461 | 112270 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 4 | 3 | 2 | 2.1 | CCCNC(=N)Nc1ccc(N(C)C)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
122295 | 9775 | 6 | None | -1 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | ||
CHEMBL114166 | 9775 | 6 | None | -1 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | ||
122295 | 9775 | 6 | None | -1 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
CHEMBL114166 | 9775 | 6 | None | -1 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
44574104 | 188899 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 4 | 1 | 4 | 3.3 | CS(=O)(=O)Nc1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL513871 | 188899 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 4 | 1 | 4 | 3.3 | CS(=O)(=O)Nc1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
145990586 | 166290 | 0 | None | -89 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
CHEMBL4285281 | 166290 | 0 | None | -89 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
2335 | 11743 | 21 | None | -5 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
8478 | 11743 | 21 | None | -5 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
CHEMBL1182210 | 11743 | 21 | None | -5 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
CHEMBL221753 | 11743 | 21 | None | -5 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
176 | 394 | 63 | None | -3 | 31 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 394 | 63 | None | -3 | 31 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 394 | 63 | None | -3 | 31 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 394 | 63 | None | -3 | 31 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 394 | 63 | None | -3 | 31 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
44424855 | 85029 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL226636 | 85029 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
44325038 | 205189 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90966 | 205189 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
127026052 | 137028 | 0 | None | -7 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3754496 | 137028 | 0 | None | -7 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
16090630 | 82824 | 0 | None | -309 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
CHEMBL218675 | 82824 | 0 | None | -309 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
10579368 | 105524 | 0 | None | -5 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | 105524 | 0 | None | -5 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
155526524 | 170619 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 364 | 6 | 0 | 6 | 2.4 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(C)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4459090 | 170619 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 364 | 6 | 0 | 6 | 2.4 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(C)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
90644720 | 112261 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 223 | 3 | 4 | 4 | 0.3 | N=C(NCCO)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289524 | 112261 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 223 | 3 | 4 | 4 | 0.3 | N=C(NCCO)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305319 | 112261 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 223 | 3 | 4 | 4 | 0.3 | N=C(NCCO)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
44579230 | 180962 | 0 | None | -50 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL476569 | 180962 | 0 | None | -50 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
10316512 | 16688 | 2 | None | -18 | 2 | Bovine | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 359 | 1 | 1 | 5 | 1.7 | Brc1cnc(N2CCNCC2)c2ncc(Br)n12 | 10.1021/jm00099a012 | ||
CHEMBL124926 | 16688 | 2 | None | -18 | 2 | Bovine | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 359 | 1 | 1 | 5 | 1.7 | Brc1cnc(N2CCNCC2)c2ncc(Br)n12 | 10.1021/jm00099a012 | ||
10081626 | 20895 | 0 | None | 12 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 204 | 0 | 1 | 2 | 1.7 | Fc1cccc2c1CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
CHEMBL131220 | 20895 | 0 | None | 12 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 204 | 0 | 1 | 2 | 1.7 | Fc1cccc2c1CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
10262765 | 116055 | 0 | None | 13 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 1.6 | COc1cccc2c1CCC1(CN=CN1)C2 | 10.1021/jm00020a021 | ||
CHEMBL336332 | 116055 | 0 | None | 13 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 1.6 | COc1cccc2c1CCC1(CN=CN1)C2 | 10.1021/jm00020a021 | ||
398712 | 77516 | 5 | None | -12 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 417 | 9 | 1 | 5 | 2.9 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1021/jm0508641 | ||
CHEMBL209324 | 77516 | 5 | None | -12 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 417 | 9 | 1 | 5 | 2.9 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1021/jm0508641 | ||
44325075 | 111273 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 8 | 0 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL328735 | 111273 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 8 | 0 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44292196 | 179426 | 0 | None | 5 | 2 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 287 | 3 | 0 | 3 | 3.1 | Clc1cccnc1N1CCN(Cc2ccccc2)CC1 | 10.1021/jm00366a007 | ||
CHEMBL47471 | 179426 | 0 | None | 5 | 2 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 287 | 3 | 0 | 3 | 3.1 | Clc1cccnc1N1CCN(Cc2ccccc2)CC1 | 10.1021/jm00366a007 | ||
9809007 | 171996 | 6 | None | -1905 | 6 | Human | 5.9 | pKi | = | 5.9 | 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/jm00010a001 | ||
CHEMBL448620 | 171996 | 6 | None | -1905 | 6 | Human | 5.9 | pKi | = | 5.9 | 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/jm00010a001 | ||
2775690 | 92579 | 47 | None | -45 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
CHEMBL2441619 | 92579 | 47 | None | -45 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
9809007 | 171996 | 6 | None | -1905 | 6 | Human | 5.9 | pKi | = | 5.9 | 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/jm980077m | ||
CHEMBL448620 | 171996 | 6 | None | -1905 | 6 | Human | 5.9 | pKi | = | 5.9 | 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/jm980077m | ||
11380132 | 83998 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL221989 | 83998 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 | 10.1021/jm0408215 | ||
1268096 | 15989 | 21 | None | -42 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
CHEMBL122404 | 15989 | 21 | None | -42 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
92766 | 106060 | 30 | None | -12 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | 106060 | 30 | None | -12 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
24839550 | 136791 | 14 | None | -1 | 15 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3752576 | 136791 | 14 | None | -1 | 15 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
11246610 | 83895 | 0 | None | 2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL221523 | 83895 | 0 | None | 2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
16090626 | 81723 | 0 | None | -77 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL216727 | 81723 | 0 | None | -77 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
44421258 | 84322 | 0 | None | 3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL1204386 | 84322 | 0 | None | 3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL222933 | 84322 | 0 | None | 3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
90644730 | 112274 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 218 | 3 | 3 | 2 | 1.7 | CCNc1ccc(/N=C2/NCC(C)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289544 | 112274 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 218 | 3 | 3 | 2 | 1.7 | CCNc1ccc(/N=C2/NCC(C)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305465 | 112274 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 218 | 3 | 3 | 2 | 1.7 | CCNc1ccc(/N=C2/NCC(C)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
71452341 | 83283 | 4 | None | -4 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | ||
CHEMBL2205361 | 83283 | 4 | None | -4 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | ||
44269006 | 32137 | 1 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL14107 | 32137 | 1 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
24906243 | 186665 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1 | 10.1021/jm800250z | ||
CHEMBL492648 | 186665 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1 | 10.1021/jm800250z | ||
1267 | 3744 | 43 | None | -52 | 25 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
3035905 | 3744 | 43 | None | -52 | 25 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
CHEMBL260374 | 3744 | 43 | None | -52 | 25 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
2284 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
9839050 | 111886 | 0 | None | -263 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 2 | 0 | 2 | 3.8 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL329566 | 111886 | 0 | None | -263 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 2 | 0 | 2 | 3.8 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 | 10.1021/jm049632c | ||
9928335 | 119592 | 1 | None | -3 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.3 | Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C | 10.1016/s0960-894x(98)00252-2 | ||
CHEMBL35093 | 119592 | 1 | None | -3 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.3 | Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C | 10.1016/s0960-894x(98)00252-2 | ||
CHEMBL4520788 | 212225 | 6 | None | -6 | 25 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
3038525 | 13438 | 107 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 435 | 3 | 0 | 5 | 5.5 | O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl | nan | ||
CHEMBL119385 | 13438 | 107 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 435 | 3 | 0 | 5 | 5.5 | O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl | nan | ||
181743 | 177997 | 3 | None | -645 | 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 | 177997 | 3 | None | -645 | 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 | ||
9827677 | 167858 | 0 | None | -6456 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | 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 | 167858 | 0 | None | -6456 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | 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 | ||
10627021 | 106611 | 0 | None | -933 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | 106611 | 0 | None | -933 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
129211 | 3692 | 75 | None | -120 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
2562 | 3692 | 75 | None | -120 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
488 | 3692 | 75 | None | -120 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
CHEMBL836 | 3692 | 75 | None | -120 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
DB00706 | 3692 | 75 | None | -120 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
44292385 | 100652 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL295186 | 100652 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
10609673 | 103300 | 0 | None | 11 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 233 | 4 | 2 | 4 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1OC | 10.1021/jm9605142 | ||
CHEMBL308863 | 103300 | 0 | None | 11 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 233 | 4 | 2 | 4 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1OC | 10.1021/jm9605142 | ||
CHEMBL179334 | 62973 | 0 | None | -7079 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
162664874 | 181594 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 519 | 9 | 5 | 11 | 1.1 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4782649 | 181594 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 519 | 9 | 5 | 11 | 1.1 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
71450550 | 83393 | 0 | None | -2 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205836 | 83393 | 0 | None | -2 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
9926529 | 9299 | 2 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111496 | 9299 | 2 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
10221004 | 202530 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70973 | 202530 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
90644736 | 112275 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 270 | 3 | 2 | 3 | 2.3 | CN(C)c1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289547 | 112275 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 270 | 3 | 2 | 3 | 2.3 | CN(C)c1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305466 | 112275 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 270 | 3 | 2 | 3 | 2.3 | CN(C)c1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
180 | 397 | 50 | None | -58 | 38 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 397 | 50 | None | -58 | 38 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 397 | 50 | None | -58 | 38 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 397 | 50 | None | -58 | 38 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 397 | 50 | None | -58 | 38 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2726 | 906 | 64 | None | -64 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | -64 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | -64 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | -64 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | -64 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
10475736 | 165310 | 0 | None | -26 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
CHEMBL424917 | 165310 | 0 | None | -26 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
3805301 | 100867 | 76 | None | -1 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1ccc(N2CCNCC2)nc1 | 10.1021/jm00366a007 | ||
CHEMBL296787 | 100867 | 76 | None | -1 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1ccc(N2CCNCC2)nc1 | 10.1021/jm00366a007 | ||
CHEMBL1350036 | 67455 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL1909062 | 67455 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
44438148 | 93057 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL246229 | 93057 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
11779308 | 18317 | 8 | None | 4 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2nccn3c(Br)cnc23)CC1 | 10.1021/jm00099a012 | ||
CHEMBL127318 | 18317 | 8 | None | 4 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2nccn3c(Br)cnc23)CC1 | 10.1021/jm00099a012 | ||
44288877 | 168034 | 0 | None | -1905 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL43594 | 168034 | 0 | None | -1905 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
2484 | 206552 | 64 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 4 | 0 | 1 | 5.8 | CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12 | nan | ||
CHEMBL990 | 206552 | 64 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 4 | 0 | 1 | 5.8 | CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12 | nan | ||
599482 | 201295 | 9 | None | -9 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 202 | 1 | 2 | 2 | 1.8 | COc1ccc2c3c([nH]c2c1)CNCC3 | 10.1016/j.bmcl.2003.09.027 | ||
CHEMBL6310 | 201295 | 9 | None | -9 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 202 | 1 | 2 | 2 | 1.8 | COc1ccc2c3c([nH]c2c1)CNCC3 | 10.1016/j.bmcl.2003.09.027 | ||
119584 | 2557 | 99 | None | -2 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
1848 | 2557 | 99 | None | -2 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
242 | 2557 | 99 | None | -2 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
CHEMBL60889 | 2557 | 99 | None | -2 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
DB11675 | 2557 | 99 | None | -2 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
44579228 | 181072 | 0 | None | -57 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL477608 | 181072 | 0 | None | -57 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
11265631 | 135886 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL373535 | 135886 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
11265631 | 135886 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL373535 | 135886 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
10317643 | 98088 | 0 | None | -32 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
CHEMBL276417 | 98088 | 0 | None | -32 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
2737203 | 183342 | 76 | None | 141 | 2 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 188 | 1 | 1 | 4 | 0.4 | N#Cc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL48137 | 183342 | 76 | None | 141 | 2 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 188 | 1 | 1 | 4 | 0.4 | N#Cc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
13123527 | 101320 | 3 | None | - | 1 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccc(NCC2=NCCN2)cc1 | 10.1021/jm00366a022 | ||
CHEMBL300053 | 101320 | 3 | None | - | 1 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccc(NCC2=NCCN2)cc1 | 10.1021/jm00366a022 | ||
13123531 | 187658 | 0 | None | - | 1 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 217 | 4 | 1 | 3 | 1.8 | CCN(CC1=NCCN1)c1ccc(C)cc1 | 10.1021/jm00366a022 | ||
CHEMBL49953 | 187658 | 0 | None | - | 1 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 217 | 4 | 1 | 3 | 1.8 | CCN(CC1=NCCN1)c1ccc(C)cc1 | 10.1021/jm00366a022 | ||
10219 | 188210 | 30 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | 188210 | 30 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | 188210 | 30 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
11211035 | 84579 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL223836 | 84579 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
11211035 | 84579 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223836 | 84579 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
10376053 | 13024 | 0 | None | 2 | 3 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
CHEMBL1190547 | 13024 | 0 | None | 2 | 3 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
CHEMBL541088 | 13024 | 0 | None | 2 | 3 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
16090622 | 81886 | 0 | None | -165 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1021/jm060262x | ||
CHEMBL217202 | 81886 | 0 | None | -165 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1021/jm060262x | ||
10070896 | 82783 | 0 | None | -281 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
CHEMBL218457 | 82783 | 0 | None | -281 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
44438166 | 93384 | 0 | None | -33 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL247664 | 93384 | 0 | None | -33 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
4428003 | 112267 | 16 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 179 | 3 | 3 | 2 | 1.4 | CCOc1ccc(NC(=N)N)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289540 | 112267 | 16 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 179 | 3 | 3 | 2 | 1.4 | CCOc1ccc(NC(=N)N)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305332 | 112267 | 16 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 179 | 3 | 3 | 2 | 1.4 | CCOc1ccc(NC(=N)N)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
155566429 | 175354 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 7 | 0 | 6 | 2.8 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(CC)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4587519 | 175354 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 7 | 0 | 6 | 2.8 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(CC)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
90644758 | 112254 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 219 | 3 | 2 | 2 | 1.7 | CCOc1ccc(/N=C2/NCC(C)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289541 | 112254 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 219 | 3 | 2 | 2 | 1.7 | CCOc1ccc(/N=C2/NCC(C)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305160 | 112254 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 219 | 3 | 2 | 2 | 1.7 | CCOc1ccc(/N=C2/NCC(C)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
5472 | 204104 | 69 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
CHEMBL1717 | 204104 | 69 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
CHEMBL833 | 204104 | 69 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
10318507 | 58645 | 0 | None | -173 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL1689423 | 58645 | 0 | None | -173 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
2406 | 99938 | 84 | None | -16 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
CHEMBL290106 | 99938 | 84 | None | -16 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
43260 | 5408 | 61 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | ||
CHEMBL1076 | 5408 | 61 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | ||
10758200 | 63087 | 0 | None | -43 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL179648 | 63087 | 0 | None | -43 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
1836 | 2554 | 56 | None | -43 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
3340 | 2554 | 56 | None | -43 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
5281040 | 2554 | 56 | None | -43 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
CHEMBL787 | 2554 | 56 | None | -43 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
DB00471 | 2554 | 56 | None | -43 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
44574135 | 188589 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2ccn[nH]2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL511211 | 188589 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2ccn[nH]2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
90644702 | 112219 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 259 | 5 | 2 | 3 | 2.4 | CCOc1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289533 | 112219 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 259 | 5 | 2 | 3 | 2.4 | CCOc1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304532 | 112219 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 259 | 5 | 2 | 3 | 2.4 | CCOc1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
44311789 | 203028 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL74342 | 203028 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
9894818 | 98468 | 0 | None | -83 | 7 | Human | 6.8 | pKi | = | 6.8 | 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 | 98468 | 0 | None | -83 | 7 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
4189 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
131268 | 112403 | 24 | None | 26 | 3 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 203 | 1 | 1 | 5 | 0.1 | c1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
CHEMBL331036 | 112403 | 24 | None | 26 | 3 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 203 | 1 | 1 | 5 | 0.1 | c1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
3952 | 1857 | 33 | None | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5353646 | 1857 | 33 | None | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5443 | 1857 | 33 | None | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5702063 | 1857 | 33 | None | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL1331786 | 1857 | 33 | None | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL420 | 1857 | 33 | None | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
10266032 | 188294 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL50720 | 188294 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
12114851 | 12931 | 0 | None | 12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 732 | 7 | 6 | 6 | 5.0 | O=C(NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1189965 | 12931 | 0 | None | 12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 732 | 7 | 6 | 6 | 5.0 | O=C(NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL539824 | 12931 | 0 | None | 12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 732 | 7 | 6 | 6 | 5.0 | O=C(NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
44292386 | 101012 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL297827 | 101012 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
13123529 | 101393 | 0 | None | - | 1 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 203 | 3 | 1 | 3 | 1.4 | Cc1ccc(N(C)CC2=NCCN2)cc1 | 10.1021/jm00366a022 | ||
CHEMBL300628 | 101393 | 0 | None | - | 1 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 203 | 3 | 1 | 3 | 1.4 | Cc1ccc(N(C)CC2=NCCN2)cc1 | 10.1021/jm00366a022 | ||
12574 | 2567 | 84 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
4810 | 2567 | 84 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
CHEMBL19236 | 2567 | 84 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
DB09242 | 2567 | 84 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
3584 | 3718 | 60 | None | -251 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
5401 | 3718 | 60 | None | -251 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
7302 | 3718 | 60 | None | -251 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
CHEMBL611 | 3718 | 60 | None | -251 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
DB01162 | 3718 | 60 | None | -251 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
11041026 | 179645 | 43 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 162 | 1 | 2 | 2 | 0.7 | NCC1Cc2ccccc2CN1 | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4749860 | 179645 | 43 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 162 | 1 | 2 | 2 | 0.7 | NCC1Cc2ccccc2CN1 | 10.1021/acs.jmedchem.0c01475 | ||
162645059 | 178834 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 471 | 8 | 5 | 11 | 0.1 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4740168 | 178834 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 471 | 8 | 5 | 11 | 0.1 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
162653032 | 179810 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 505 | 8 | 5 | 11 | 0.7 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4751862 | 179810 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 505 | 8 | 5 | 11 | 0.7 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
162654934 | 180009 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 485 | 9 | 5 | 11 | 0.6 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2CNCc3ccccc32)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4754362 | 180009 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 485 | 9 | 5 | 11 | 0.6 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2CNCc3ccccc32)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
9894818 | 98468 | 0 | None | -83 | 7 | Human | 6.8 | pKi | = | 6.8 | 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 | 98468 | 0 | None | -83 | 7 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
10474335 | 193025 | 16 | None | -52 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
CHEMBL53325 | 193025 | 16 | None | -52 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
90644710 | 112232 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 259 | 3 | 3 | 4 | 2.1 | N=C(NCc1ccco1)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289529 | 112232 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 259 | 3 | 3 | 4 | 2.1 | N=C(NCc1ccco1)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304670 | 112232 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 259 | 3 | 3 | 4 | 2.1 | N=C(NCc1ccco1)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
44421258 | 84322 | 0 | None | 3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL1204386 | 84322 | 0 | None | 3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL222933 | 84322 | 0 | None | 3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
62379598 | 112272 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 221 | 3 | 3 | 3 | 1.8 | CCCNC(=N)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289539 | 112272 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 221 | 3 | 3 | 3 | 1.8 | CCCNC(=N)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305463 | 112272 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 221 | 3 | 3 | 3 | 1.8 | CCCNC(=N)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
5318 | 15400 | 44 | None | -1 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1200348 | 15400 | 44 | None | -1 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1221 | 15400 | 44 | None | -1 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
5353853 | 17803 | 41 | None | -16 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
9556529 | 17803 | 41 | None | -16 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1262 | 17803 | 41 | None | -16 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
101333429 | 116575 | 0 | None | -3890 | 6 | Human | 5.8 | pKi | = | 5.8 | 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 | 116575 | 0 | None | -3890 | 6 | Human | 5.8 | pKi | = | 5.8 | 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 | ||
11186523 | 126989 | 0 | None | -109 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL366164 | 126989 | 0 | None | -109 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
135356876 | 173502 | 0 | None | -9 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
CHEMBL4544251 | 173502 | 0 | None | -9 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
114697 | 3631 | 4 | None | -8 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 10.1021/jm00020a021 | ||
513 | 3631 | 4 | None | -8 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 10.1021/jm00020a021 | ||
CHEMBL101340 | 3631 | 4 | None | -8 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 10.1021/jm00020a021 | ||
12981869 | 168071 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 1 | 2 | 2.5 | Fc1ccc2c(c1)C=C(CC1CN=CN1)CC2 | 10.1021/jm001040g | ||
CHEMBL436234 | 168071 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 1 | 2 | 2.5 | Fc1ccc2c(c1)C=C(CC1CN=CN1)CC2 | 10.1021/jm001040g | ||
10508016 | 205427 | 0 | None | -43 | 6 | Human | 5.8 | pKi | = | 5.8 | 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 | 205427 | 0 | None | -43 | 6 | Human | 5.8 | pKi | = | 5.8 | 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 | ||
132584404 | 142817 | 0 | None | -3 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 416 | 3 | 0 | 2 | 6.7 | CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 | 10.1016/j.bmcl.2016.10.065 | ||
CHEMBL3897499 | 142817 | 0 | None | -3 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 416 | 3 | 0 | 2 | 6.7 | CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 | 10.1016/j.bmcl.2016.10.065 | ||
135 | 2496 | 38 | None | -4 | 57 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2496 | 38 | None | -4 | 57 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2496 | 38 | None | -4 | 57 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2496 | 38 | None | -4 | 57 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2496 | 38 | None | -4 | 57 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
44324800 | 205220 | 0 | None | -5 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL91157 | 205220 | 0 | None | -5 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
14004040 | 51359 | 0 | None | 6 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 227 | 0 | 0 | 2 | 3.5 | c1ccc2c3c(oc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
CHEMBL158371 | 51359 | 0 | None | 6 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 227 | 0 | 0 | 2 | 3.5 | c1ccc2c3c(oc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
14004040 | 51359 | 0 | None | 6 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 227 | 0 | 0 | 2 | 3.5 | c1ccc2c3c(oc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
CHEMBL158371 | 51359 | 0 | None | 6 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 227 | 0 | 0 | 2 | 3.5 | c1ccc2c3c(oc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
15391752 | 181748 | 0 | None | -7 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 4.6 | CC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1 | 10.1016/j.bmcl.2020.127506 | ||
CHEMBL4784373 | 181748 | 0 | None | -7 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 4.6 | CC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1 | 10.1016/j.bmcl.2020.127506 | ||
44371744 | 50050 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL157206 | 50050 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
11360447 | 84577 | 0 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223829 | 84577 | 0 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
44350012 | 17840 | 0 | None | 6 | 3 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 4 | 3 | 7 | 0.4 | CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | ||
CHEMBL126394 | 17840 | 0 | None | 6 | 3 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 4 | 3 | 7 | 0.4 | CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | ||
6604117 | 187264 | 6 | None | -16 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL2062340 | 187264 | 6 | None | -16 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL49623 | 187264 | 6 | None | -16 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
168290009 | 191222 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 1 | 2 | 5 | 2.0 | Nc1ncc(/C=C2\CCc3c(O)cccc3C2=O)cn1 | 10.1016/j.ejmech.2021.113964 | ||
CHEMBL5198566 | 191222 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 1 | 2 | 5 | 2.0 | Nc1ncc(/C=C2\CCc3c(O)cccc3C2=O)cn1 | 10.1016/j.ejmech.2021.113964 | ||
10660 | 14298 | 55 | None | -43 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
CHEMBL1200406 | 14298 | 55 | None | -43 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
6918276 | 15435 | 4 | None | -16 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
CHEMBL1221512 | 15435 | 4 | None | -16 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
3198 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
11140345 | 202470 | 0 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70692 | 202470 | 0 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
122442272 | 137820 | 0 | None | -11 | 15 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 137820 | 0 | None | -11 | 15 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 137820 | 0 | None | -11 | 15 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
49836306 | 18388 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276247 | 18388 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
21392988 | 203109 | 4 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 156 | 0 | 0 | 4 | -0.3 | C1COC(N2CCOCC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL75201 | 203109 | 4 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 156 | 0 | 0 | 4 | -0.3 | C1COC(N2CCOCC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
4209 | 3114 | 71 | None | -616 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
4893 | 3114 | 71 | None | -616 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
503 | 3114 | 71 | None | -616 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
5385 | 3114 | 71 | None | -616 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
CHEMBL2 | 3114 | 71 | None | -616 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
DB00457 | 3114 | 71 | None | -616 | 33 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
1547484 | 927 | 70 | None | -5 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
654 | 927 | 70 | None | -5 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
9072 | 927 | 70 | None | -5 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL43064 | 927 | 70 | None | -5 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB00568 | 927 | 70 | None | -5 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
3645619 | 2985 | 13 | None | -104 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | 10.1021/jm970021c | ||
975 | 2985 | 13 | None | -104 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | 10.1021/jm970021c | ||
CHEMBL45244 | 2985 | 13 | None | -104 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | 10.1021/jm970021c | ||
132060720 | 161939 | 0 | None | -4 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4167315 | 161939 | 0 | None | -4 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
44415569 | 165381 | 0 | None | -107 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 505 | 4 | 1 | 7 | 4.5 | COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
CHEMBL425069 | 165381 | 0 | None | -107 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 505 | 4 | 1 | 7 | 4.5 | COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
26987 | 936 | 29 | None | -158 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
6063 | 936 | 29 | None | -158 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
671 | 936 | 29 | None | -158 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
CHEMBL1626 | 936 | 29 | None | -158 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
DB00283 | 936 | 29 | None | -158 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
9838192 | 110824 | 13 | None | 2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
CHEMBL326702 | 110824 | 13 | None | 2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
155523897 | 170303 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 7 | 0 | 6 | 4.1 | CCOP(=O)(OCC)C1(c2ccc(F)cc2)N=CC2C(=O)N(c3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4454147 | 170303 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 7 | 0 | 6 | 4.1 | CCOP(=O)(OCC)C1(c2ccc(F)cc2)N=CC2C(=O)N(c3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
155556443 | 173912 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 406 | 6 | 0 | 6 | 3.6 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(C(C)(C)C)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4554450 | 173912 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 406 | 6 | 0 | 6 | 3.6 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(C(C)(C)C)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
9838192 | 110824 | 13 | None | 2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | ||
CHEMBL326702 | 110824 | 13 | None | 2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | ||
136680384 | 205921 | 0 | None | -380 | 6 | Human | 5.8 | pKi | = | 5.8 | 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 | 205921 | 0 | None | -380 | 6 | Human | 5.8 | pKi | = | 5.8 | 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 | 205921 | 0 | None | -380 | 6 | Human | 5.8 | pKi | = | 5.8 | 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 | ||
90644742 | 112243 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 2 | 2 | 4 | 1.9 | c1coc(C2CN/C(=N/c3ccc4c(c3)OCO4)N2)c1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289550 | 112243 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 2 | 2 | 4 | 1.9 | c1coc(C2CN/C(=N/c3ccc4c(c3)OCO4)N2)c1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304990 | 112243 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 2 | 2 | 4 | 1.9 | c1coc(C2CN/C(=N/c3ccc4c(c3)OCO4)N2)c1 | 10.1016/j.ejmech.2014.05.057 | ||
135 | 2496 | 38 | None | -5 | 57 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
1796 | 2496 | 38 | None | -5 | 57 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
4184 | 2496 | 38 | None | -5 | 57 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
CHEMBL6437 | 2496 | 38 | None | -5 | 57 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
DB06148 | 2496 | 38 | None | -5 | 57 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
3303 | 2213 | 41 | None | -245 | 15 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
5311200 | 2213 | 41 | None | -245 | 15 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
CHEMBL267014 | 2213 | 41 | None | -245 | 15 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
10319299 | 81175 | 0 | None | -48 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
CHEMBL216290 | 81175 | 0 | None | -48 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
10177445 | 165489 | 0 | None | -32 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1021/jm060262x | ||
CHEMBL425622 | 165489 | 0 | None | -32 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1021/jm060262x | ||
CHEMBL1441214 | 39578 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL1476898 | 39578 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | nan | ||||
71454275 | 83634 | 0 | None | -41 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 293 | 3 | 1 | 3 | 3.0 | CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1 | 10.1021/jm300975f | ||
CHEMBL2207493 | 83634 | 0 | None | -41 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 293 | 3 | 1 | 3 | 3.0 | CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1 | 10.1021/jm300975f | ||
11221758 | 84194 | 0 | None | 7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222138 | 84194 | 0 | None | 7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 | 10.1021/jm0408215 | ||
90644716 | 112220 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 3 | 4 | 2 | 1.5 | N=C(NCCO)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289526 | 112220 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 3 | 4 | 2 | 1.5 | N=C(NCCO)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304535 | 112220 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 3 | 4 | 2 | 1.5 | N=C(NCCO)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
16725934 | 146890 | 0 | None | -87 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL392992 | 146890 | 0 | None | -87 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
44574077 | 178183 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 2 | 0 | 4 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2nccs2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL468710 | 178183 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 2 | 0 | 4 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2nccs2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
136 | 3240 | 28 | None | -16 | 16 | Bovine | 7.8 | pKi | = | 7.8 | 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/jm00366a007 | ||
223 | 3240 | 28 | None | -16 | 16 | Bovine | 7.8 | pKi | = | 7.8 | 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/jm00366a007 | ||
643606 | 3240 | 28 | None | -16 | 16 | Bovine | 7.8 | pKi | = | 7.8 | 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/jm00366a007 | ||
CHEMBL10347 | 3240 | 28 | None | -16 | 16 | Bovine | 7.8 | pKi | = | 7.8 | 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/jm00366a007 | ||
3024499 | 174900 | 67 | None | 20 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cccc(N2CCNCC2)n1 | 10.1021/jm00366a007 | ||
CHEMBL45773 | 174900 | 67 | None | 20 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cccc(N2CCNCC2)n1 | 10.1021/jm00366a007 | ||
11140347 | 202828 | 0 | None | -2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72768 | 202828 | 0 | None | -2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44292381 | 100924 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.7 | c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL297228 | 100924 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.7 | c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
25142456 | 81994 | 2 | None | -89 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | ||
CHEMBL217299 | 81994 | 2 | None | -89 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | ||
188249 | 39415 | 4 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 0 | 0 | 5 | 3.2 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1 | 10.1021/jm2013419 | ||
CHEMBL147463 | 39415 | 4 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 0 | 0 | 5 | 3.2 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1 | 10.1021/jm2013419 | ||
CHEMBL2022280 | 39415 | 4 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 0 | 0 | 5 | 3.2 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1 | 10.1021/jm2013419 | ||
73213195 | 103980 | 0 | None | -61 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104092 | 103980 | 0 | None | -61 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
164615845 | 184607 | 0 | None | -1 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | ||
CHEMBL4857492 | 184607 | 0 | None | -1 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | ||
5198 | 19235 | 46 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 4 | 1 | 3 | 2.5 | CC1CCC(NC(=O)N(CCCl)N=O)CC1 | nan | ||
CHEMBL12948 | 19235 | 46 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 4 | 1 | 3 | 2.5 | CC1CCC(NC(=O)N(CCCl)N=O)CC1 | nan | ||
68712 | 99874 | 57 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL289480 | 99874 | 57 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
57395663 | 70837 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956193 | 70837 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
122065 | 188958 | 3 | None | -3630 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 5 | 1 | 6 | 1.5 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 | 10.1021/jm970159v | ||
CHEMBL51433 | 188958 | 3 | None | -3630 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 5 | 1 | 6 | 1.5 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 | 10.1021/jm970159v | ||
2247 | 502 | 77 | None | -58 | 41 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 502 | 77 | None | -58 | 41 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 502 | 77 | None | -58 | 41 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 502 | 77 | None | -58 | 41 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 502 | 77 | None | -58 | 41 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
73213195 | 103980 | 0 | None | -61 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104092 | 103980 | 0 | None | -61 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
10379016 | 16315 | 2 | None | -1 | 3 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 1 | 1 | 5 | 0.9 | Brc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
CHEMBL123566 | 16315 | 2 | None | -1 | 3 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 1 | 1 | 5 | 0.9 | Brc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
3117 | 206106 | 100 | None | -2 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
CHEMBL964 | 206106 | 100 | None | -2 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
135398737 | 944 | 89 | None | -26 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm2013419 | ||
38 | 944 | 89 | None | -26 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm2013419 | ||
722 | 944 | 89 | None | -26 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm2013419 | ||
CHEMBL42 | 944 | 89 | None | -26 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm2013419 | ||
DB00363 | 944 | 89 | None | -26 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm2013419 | ||
10362866 | 81887 | 0 | None | -371 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
CHEMBL217203 | 81887 | 0 | None | -371 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
10474679 | 96729 | 0 | None | -288 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
CHEMBL268217 | 96729 | 0 | None | -288 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
44438168 | 93385 | 0 | None | -53 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL247665 | 93385 | 0 | None | -53 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
44324900 | 205171 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 6 | 0 | 7 | 2.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90843 | 205171 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 6 | 0 | 7 | 2.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
11043720 | 91740 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242265 | 91740 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
11043720 | 91740 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL242265 | 91740 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
44289035 | 100048 | 0 | None | -977 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | 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 | 100048 | 0 | None | -977 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | 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 | ||
90644714 | 112273 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 222 | 4 | 4 | 3 | 0.7 | CN(C)c1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289527 | 112273 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 222 | 4 | 4 | 3 | 0.7 | CN(C)c1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305464 | 112273 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 222 | 4 | 4 | 3 | 0.7 | CN(C)c1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
155538461 | 171835 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 494 | 7 | 0 | 6 | 5.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4476557 | 171835 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 494 | 7 | 0 | 6 | 5.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
90644718 | 112263 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 222 | 5 | 5 | 3 | 1.0 | CCNc1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289525 | 112263 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 222 | 5 | 5 | 3 | 1.0 | CCNc1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305320 | 112263 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 222 | 5 | 5 | 3 | 1.0 | CCNc1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
1353 | 1880 | 85 | None | -190 | 85 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1880 | 85 | None | -190 | 85 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1880 | 85 | None | -190 | 85 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1880 | 85 | None | -190 | 85 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1880 | 85 | None | -190 | 85 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
16090601 | 81980 | 0 | None | -208 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1021/jm060262x | ||
CHEMBL217254 | 81980 | 0 | None | -208 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1021/jm060262x | ||
10873978 | 167921 | 0 | None | -4677 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 445 | 7 | 1 | 4 | 5.1 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1 | 10.1021/jm0211220 | ||
CHEMBL435218 | 167921 | 0 | None | -4677 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 445 | 7 | 1 | 4 | 5.1 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1 | 10.1021/jm0211220 | ||
135398737 | 944 | 89 | None | -10 | 91 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
38 | 944 | 89 | None | -10 | 91 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
722 | 944 | 89 | None | -10 | 91 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
CHEMBL42 | 944 | 89 | None | -10 | 91 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
DB00363 | 944 | 89 | None | -10 | 91 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
10106205 | 205408 | 1 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 251 | 2 | 2 | 3 | 3.0 | Cc1c(NC2=NCCN2)cccc1-c1ccccc1 | 10.1021/jm030030n | ||
CHEMBL92221 | 205408 | 1 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 251 | 2 | 2 | 3 | 3.0 | Cc1c(NC2=NCCN2)cccc1-c1ccccc1 | 10.1021/jm030030n | ||
12981870 | 57812 | 2 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 200 | 2 | 1 | 3 | 2.0 | C1=NCC(Cc2cc3ccccc3o2)N1 | 10.1021/jm001040g | ||
CHEMBL167644 | 57812 | 2 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 200 | 2 | 1 | 3 | 2.0 | C1=NCC(Cc2cc3ccccc3o2)N1 | 10.1021/jm001040g | ||
10465942 | 13434 | 0 | None | 1 | 3 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
CHEMBL1193821 | 13434 | 0 | None | 1 | 3 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
CHEMBL545289 | 13434 | 0 | None | 1 | 3 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
16090596 | 81879 | 0 | None | -275 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL217177 | 81879 | 0 | None | -275 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
21584368 | 198170 | 3 | None | -4 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 208 | 2 | 2 | 4 | 0.6 | O=[N+]([O-])c1ccc2c(c1)CNC(CO)C2 | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL59441 | 198170 | 3 | None | -4 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 208 | 2 | 2 | 4 | 0.6 | O=[N+]([O-])c1ccc2c(c1)CNC(CO)C2 | 10.1021/acs.jmedchem.0c01475 | ||
90644712 | 112253 | 1 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 5 | 4 | 3 | 1.0 | CCOc1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289528 | 112253 | 1 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 5 | 4 | 3 | 1.0 | CCOc1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305159 | 112253 | 1 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 5 | 4 | 3 | 1.0 | CCOc1ccc(NC(=N)NCCO)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
135398745 | 2869 | 108 | None | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
47 | 2869 | 108 | None | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
CHEMBL715 | 2869 | 108 | None | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
DB00334 | 2869 | 108 | None | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
162672516 | 182540 | 0 | None | -3 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 425 | 8 | 1 | 5 | 5.0 | CC(=O)Nc1ccc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1 | 10.1016/j.bmcl.2020.127506 | ||
CHEMBL4794963 | 182540 | 0 | None | -3 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 425 | 8 | 1 | 5 | 5.0 | CC(=O)Nc1ccc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1 | 10.1016/j.bmcl.2020.127506 | ||
127036186 | 136889 | 0 | None | -6 | 19 | Human | 6.7 | pKi | = | 6.7 | 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 | 136889 | 0 | None | -6 | 19 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
14004039 | 119056 | 3 | None | 5 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 0 | 0 | 2 | 2.8 | c1cc2c(s1)C1CCCCN1CC2 | 10.1021/jm00398a025 | ||
CHEMBL346016 | 119056 | 3 | None | 5 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 0 | 0 | 2 | 2.8 | c1cc2c(s1)C1CCCCN1CC2 | 10.1021/jm00398a025 | ||
12699315 | 75945 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 243 | 1 | 2 | 3 | 2.8 | CC1CNC(Nc2c(Cl)cccc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL2058631 | 75945 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 243 | 1 | 2 | 3 | 2.8 | CC1CNC(Nc2c(Cl)cccc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | ||
14004039 | 119056 | 3 | None | 5 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 0 | 0 | 2 | 2.8 | c1cc2c(s1)C1CCCCN1CC2 | 10.1021/jm00398a025 | ||
CHEMBL346016 | 119056 | 3 | None | 5 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 0 | 0 | 2 | 2.8 | c1cc2c(s1)C1CCCCN1CC2 | 10.1021/jm00398a025 | ||
44288874 | 100626 | 0 | None | -1949 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | 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 | 100626 | 0 | None | -1949 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | 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 | ||
11034737 | 202823 | 0 | None | 2 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72724 | 202823 | 0 | None | 2 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
14004032 | 119329 | 2 | None | 1 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 0 | 0 | 2 | 2.2 | c1cnc2c(c1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
CHEMBL348538 | 119329 | 2 | None | 1 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 0 | 0 | 2 | 2.2 | c1cnc2c(c1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
185076 | 186507 | 4 | None | 2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm960359r | ||
CHEMBL49137 | 186507 | 4 | None | 2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm960359r | ||
185076 | 186507 | 4 | None | 2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm9605142 | ||
CHEMBL49137 | 186507 | 4 | None | 2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm9605142 | ||
2142 | 3047 | 54 | None | 1 | 36 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
4920903 | 3047 | 54 | None | 1 | 36 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
502 | 3047 | 54 | None | 1 | 36 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
5775 | 3047 | 54 | None | 1 | 36 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
CHEMBL597 | 3047 | 54 | None | 1 | 36 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
DB00692 | 3047 | 54 | None | 1 | 36 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00366a022 | ||
2142 | 3047 | 54 | None | -2 | 36 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
4920903 | 3047 | 54 | None | -2 | 36 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
502 | 3047 | 54 | None | -2 | 36 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
5775 | 3047 | 54 | None | -2 | 36 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
CHEMBL597 | 3047 | 54 | None | -2 | 36 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
DB00692 | 3047 | 54 | None | -2 | 36 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.6 | pKi | = | 8.6 | 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 | nan | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.6 | pKi | = | 8.6 | 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 | nan | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.6 | pKi | = | 8.6 | 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 | nan | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.6 | pKi | = | 8.6 | 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 | nan | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.6 | pKi | = | 8.6 | 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 | nan | ||
218362 | 203092 | 5 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL75030 | 203092 | 5 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
73453 | 29403 | 22 | None | -3 | 17 | Human | 8.6 | pKi | = | 8.6 | 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 | 29403 | 22 | None | -3 | 17 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
135440165 | 78535 | 0 | None | -23 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112985 | 78535 | 0 | None | -23 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
136019934 | 143997 | 0 | None | -7 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL390718 | 143997 | 0 | None | -7 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
9928332 | 96732 | 4 | None | -1 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL268258 | 96732 | 4 | None | -1 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/s0960-894x(03)00525-0 | ||
9928332 | 96732 | 4 | None | -1 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1021/jm049619s | ||
CHEMBL268258 | 96732 | 4 | None | -1 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1021/jm049619s | ||
10176567 | 102327 | 3 | None | 10 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 200 | 1 | 1 | 2 | 3.3 | c1cc(-c2c[nH]cn2)c2ccsc2c1 | 10.1021/jm990569e | ||
CHEMBL30534 | 102327 | 3 | None | 10 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 200 | 1 | 1 | 2 | 3.3 | c1cc(-c2c[nH]cn2)c2ccsc2c1 | 10.1021/jm990569e | ||
44324765 | 111080 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL328114 | 111080 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
10176567 | 102327 | 3 | None | 10 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 200 | 1 | 1 | 2 | 3.3 | c1cc(-c2c[nH]cn2)c2ccsc2c1 | 10.1021/jm000128r | ||
CHEMBL30534 | 102327 | 3 | None | 10 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 200 | 1 | 1 | 2 | 3.3 | c1cc(-c2c[nH]cn2)c2ccsc2c1 | 10.1021/jm000128r | ||
44324765 | 111080 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL328114 | 111080 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
2142 | 3047 | 54 | None | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
4920903 | 3047 | 54 | None | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
502 | 3047 | 54 | None | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
5775 | 3047 | 54 | None | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
CHEMBL597 | 3047 | 54 | None | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
DB00692 | 3047 | 54 | None | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
11959098 | 178956 | 50 | None | 79 | 2 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 211 | 1 | 0 | 3 | 1.5 | CN1CCN(c2ncccc2Cl)CC1 | 10.1021/jm00366a007 | ||
CHEMBL47415 | 178956 | 50 | None | 79 | 2 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 211 | 1 | 0 | 3 | 1.5 | CN1CCN(c2ncccc2Cl)CC1 | 10.1021/jm00366a007 | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
395 | 714 | 98 | None | -4 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
520 | 714 | 98 | None | -4 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
3038495 | 700 | 30 | None | -1 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2010.07.002 | ||
7625 | 700 | 30 | None | -1 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL25236 | 700 | 30 | None | -1 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2010.07.002 | ||
46934427 | 15452 | 0 | None | 3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 11 | 1 | 5 | 4.5 | COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL1221594 | 15452 | 0 | None | 3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 11 | 1 | 5 | 4.5 | COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
12203911 | 187699 | 20 | None | 54 | 2 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 255 | 1 | 0 | 3 | 1.6 | CN1CCN(c2ncccc2Br)CC1 | 10.1021/jm00366a007 | ||
CHEMBL50017 | 187699 | 20 | None | 54 | 2 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 255 | 1 | 0 | 3 | 1.6 | CN1CCN(c2ncccc2Br)CC1 | 10.1021/jm00366a007 | ||
9816063 | 102600 | 0 | None | 4 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | ||
CHEMBL30739 | 102600 | 0 | None | 4 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | ||
2216 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
229 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
7117 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
CHEMBL647 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
DB00964 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
44330584 | 107633 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL319573 | 107633 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
10480357 | 206477 | 0 | None | -9 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL98541 | 206477 | 0 | None | -9 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
9816063 | 102600 | 0 | None | 4 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | ||
CHEMBL30739 | 102600 | 0 | None | 4 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | ||
44314198 | 103933 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL310335 | 103933 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
9815707 | 100999 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL297752 | 100999 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
134551 | 355 | 25 | None | -3 | 21 | Human | 8.5 | pKi | = | 8.5 | 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 | 355 | 25 | None | -3 | 21 | Human | 8.5 | pKi | = | 8.5 | 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 | 355 | 25 | None | -3 | 21 | Human | 8.5 | pKi | = | 8.5 | 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 | 355 | 25 | None | -3 | 21 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
11224953 | 78524 | 0 | None | -7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 3.3 | CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL2112973 | 78524 | 0 | None | -7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 3.3 | CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
135499867 | 78531 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 388 | 5 | 1 | 5 | 3.2 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL2112981 | 78531 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 388 | 5 | 1 | 5 | 3.2 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 | 10.1021/jm049619s | ||
1816 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
4205 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
7241 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
CHEMBL654 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
DB00370 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
49836303 | 18385 | 1 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276220 | 18385 | 1 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.ejmech.2014.05.057 | ||
516 | 941 | 53 | None | -1 | 19 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.ejmech.2014.05.057 | ||
704 | 941 | 53 | None | -1 | 19 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.ejmech.2014.05.057 | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.ejmech.2014.05.057 | ||
49836303 | 18385 | 1 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276220 | 18385 | 1 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
10848826 | 188293 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL50719 | 188293 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL508338 | 188379 | 0 | None | -6 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | None | nan | ||||
14004032 | 119329 | 2 | None | 1 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 0 | 0 | 2 | 2.2 | c1cnc2c(c1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
CHEMBL348538 | 119329 | 2 | None | 1 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 0 | 0 | 2 | 2.2 | c1cnc2c(c1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
44415672 | 79764 | 0 | None | -1659 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 531 | 2 | 1 | 5 | 5.6 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
CHEMBL213492 | 79764 | 0 | None | -1659 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 531 | 2 | 1 | 5 | 5.6 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
11057 | 175575 | 19 | None | -1 | 20 | Human | 6.7 | pKi | = | 6.7 | 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 | 175575 | 19 | None | -1 | 20 | Human | 6.7 | pKi | = | 6.7 | 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 | 175575 | 19 | None | -1 | 20 | Human | 6.7 | pKi | = | 6.7 | 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 | 175575 | 19 | None | -1 | 20 | Human | 6.7 | pKi | = | 6.7 | 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 | ||
44574106 | 177851 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 317 | 3 | 1 | 3 | 3.3 | CNC(=O)c1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL466012 | 177851 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 317 | 3 | 1 | 3 | 3.3 | CNC(=O)c1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
135398745 | 2869 | 108 | None | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
47 | 2869 | 108 | None | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
CHEMBL715 | 2869 | 108 | None | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
DB00334 | 2869 | 108 | None | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
1201549 | 590 | 22 | None | -33 | 20 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
333 | 590 | 22 | None | -33 | 20 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
7601 | 590 | 22 | None | -33 | 20 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1201203 | 590 | 22 | None | -33 | 20 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL438151 | 590 | 22 | None | -33 | 20 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
DB00245 | 590 | 22 | None | -33 | 20 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
11750482 | 146888 | 0 | None | -25 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL392991 | 146888 | 0 | None | -25 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
12909388 | 60731 | 0 | None | -14 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 303 | 0 | 0 | 3 | 3.4 | CN1CCC(=C2c3cc(C#N)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL176365 | 60731 | 0 | None | -14 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 303 | 0 | 0 | 3 | 3.4 | CN1CCC(=C2c3cc(C#N)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
3598 | 187238 | 73 | None | -2 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
CHEMBL496 | 187238 | 73 | None | -2 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
44579187 | 189087 | 0 | None | -263 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL515331 | 189087 | 0 | None | -263 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
132060733 | 161575 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4161503 | 161575 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
11801828 | 204818 | 0 | None | -128 | 6 | Human | 5.7 | pKi | = | 5.7 | 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 | 204818 | 0 | None | -128 | 6 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
124 | 2933 | 44 | None | -16 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
2032 | 2933 | 44 | None | -16 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
4636 | 2933 | 44 | None | -16 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
CHEMBL762 | 2933 | 44 | None | -16 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
DB00935 | 2933 | 44 | None | -16 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm00018a001 | ||
123920 | 99691 | 34 | None | 309 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 201 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1Cl)CNCC2 | 10.1021/jm0205752 | ||
CHEMBL287837 | 99691 | 34 | None | 309 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 201 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1Cl)CNCC2 | 10.1021/jm0205752 | ||
4209 | 3114 | 71 | None | -3235 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
4893 | 3114 | 71 | None | -3235 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
503 | 3114 | 71 | None | -3235 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
5385 | 3114 | 71 | None | -3235 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
CHEMBL2 | 3114 | 71 | None | -3235 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
DB00457 | 3114 | 71 | None | -3235 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
13141182 | 130371 | 1 | None | -10 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3cc(Br)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL368578 | 130371 | 1 | None | -10 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3cc(Br)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
10490084 | 203250 | 1 | None | 7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 237 | 2 | 2 | 2 | 2.9 | Brc1ccccc1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
CHEMBL76457 | 203250 | 1 | None | 7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 237 | 2 | 2 | 2 | 2.9 | Brc1ccccc1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
44574045 | 188697 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 260 | 2 | 0 | 2 | 3.9 | c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL512062 | 188697 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 260 | 2 | 0 | 2 | 3.9 | c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.166 | ||
50878551 | 90314 | 60 | None | -5 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL2391541 | 90314 | 60 | None | -5 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
24906197 | 187083 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495097 | 187083 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
90644704 | 112218 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 258 | 4 | 2 | 3 | 2.1 | CN(C)c1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289532 | 112218 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 258 | 4 | 2 | 3 | 2.1 | CN(C)c1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304530 | 112218 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 258 | 4 | 2 | 3 | 2.1 | CN(C)c1ccc(/N=C(/N)NCc2ccco2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
4209 | 3114 | 71 | None | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
4893 | 3114 | 71 | None | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
503 | 3114 | 71 | None | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
5385 | 3114 | 71 | None | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
CHEMBL2 | 3114 | 71 | None | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
DB00457 | 3114 | 71 | None | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
10793665 | 106469 | 0 | None | -1202 | 6 | Human | 5.7 | pKi | = | 5.7 | 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 | 106469 | 0 | None | -1202 | 6 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
1549008 | 203967 | 81 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 4 | 0 | 1 | 4.9 | CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 | nan | ||
CHEMBL822 | 203967 | 81 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 4 | 0 | 1 | 4.9 | CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 | nan | ||
44438161 | 146608 | 0 | None | -22 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL392771 | 146608 | 0 | None | -22 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
2520 | 202310 | 65 | None | -6 | 11 | Human | 6.7 | pKi | = | 6.7 | 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 | 202310 | 65 | None | -6 | 11 | Human | 6.7 | pKi | = | 6.7 | 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 | 202310 | 65 | None | -6 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
12488 | 1627 | 51 | None | -6 | 23 | Human | 6.7 | pKi | = | 6.7 | 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 | 1627 | 51 | None | -6 | 23 | Human | 6.7 | pKi | = | 6.7 | 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 | 1627 | 51 | None | -6 | 23 | Human | 6.7 | pKi | = | 6.7 | 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 | 1627 | 51 | None | -6 | 23 | Human | 6.7 | pKi | = | 6.7 | 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 | ||
11098175 | 202469 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL70691 | 202469 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
10841190 | 106559 | 0 | None | -309 | 6 | Human | 5.7 | pKi | = | 5.7 | 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 | 106559 | 0 | None | -309 | 6 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
90644740 | 112233 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 270 | 4 | 3 | 3 | 2.6 | CCNc1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289549 | 112233 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 270 | 4 | 3 | 3 | 2.6 | CCNc1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304693 | 112233 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 270 | 4 | 3 | 3 | 2.6 | CCNc1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL1200633 | 206858 | 3 | None | -7 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
133 | 2460 | 48 | None | -23 | 42 | Human | 7.7 | pKi | = | 7.7 | 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 | 2460 | 48 | None | -23 | 42 | Human | 7.7 | pKi | = | 7.7 | 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 | 2460 | 48 | None | -23 | 42 | Human | 7.7 | pKi | = | 7.7 | 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 | 2460 | 48 | None | -23 | 42 | Human | 7.7 | pKi | = | 7.7 | 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 | 2460 | 48 | None | -23 | 42 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
44330679 | 206533 | 0 | None | -10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 2.9 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL98889 | 206533 | 0 | None | -10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 2.9 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324859 | 111122 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL328377 | 111122 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44549156 | 18383 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276218 | 18383 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
57345626 | 70836 | 2 | None | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956192 | 70836 | 2 | None | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
57345626 | 70836 | 2 | None | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956192 | 70836 | 2 | None | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
45487956 | 196690 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
CHEMBL576623 | 196690 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
44549156 | 18383 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276218 | 18383 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
11347303 | 110892 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
CHEMBL327116 | 110892 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
44579185 | 181232 | 0 | None | -28 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL477816 | 181232 | 0 | None | -28 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
5288606 | 96736 | 25 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 0 | 1 | 1 | 1.9 | Ic1ccc2c(c1)CNCC2 | 10.1021/jm0205752 | ||
CHEMBL26828 | 96736 | 25 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 0 | 1 | 1 | 1.9 | Ic1ccc2c(c1)CNCC2 | 10.1021/jm0205752 | ||
16090602 | 82036 | 0 | None | -239 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1021/jm060262x | ||
CHEMBL217542 | 82036 | 0 | None | -239 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1021/jm060262x | ||
164618319 | 184010 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 2 | 1 | 4 | 2.1 | CC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
CHEMBL4848838 | 184010 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 2 | 1 | 4 | 2.1 | CC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
10132386 | 96651 | 1 | None | -63 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL267464 | 96651 | 1 | None | -63 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1021/jm060262x | ||
155566702 | 175333 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 472 | 9 | 0 | 6 | 4.2 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(CCc3ccc(F)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4587003 | 175333 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 472 | 9 | 0 | 6 | 4.2 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(CCc3ccc(F)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
90644722 | 112217 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 255 | 4 | 3 | 2 | 3.5 | CCOc1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289523 | 112217 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 255 | 4 | 3 | 2 | 3.5 | CCOc1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304529 | 112217 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 255 | 4 | 3 | 2 | 3.5 | CCOc1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
49783209 | 17427 | 0 | None | -3890 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
CHEMBL1258223 | 17427 | 0 | None | -3890 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
9906978 | 42466 | 1 | None | -165 | 12 | Human | 5.7 | pKi | = | 5.7 | 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 | 42466 | 1 | None | -165 | 12 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
9837106 | 103680 | 2 | None | -8 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2sccc2CC1 | 10.1021/jm990569e | ||
CHEMBL30955 | 103680 | 2 | None | -8 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2sccc2CC1 | 10.1021/jm990569e | ||
9837106 | 103680 | 2 | None | 8 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2sccc2CC1 | 10.1021/jm000128r | ||
CHEMBL30955 | 103680 | 2 | None | 8 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2sccc2CC1 | 10.1021/jm000128r | ||
1443 | 1997 | 30 | None | -23 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
33625 | 1997 | 30 | None | -23 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
501 | 1997 | 30 | None | -23 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
CHEMBL279516 | 1997 | 30 | None | -23 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
DB08950 | 1997 | 30 | None | -23 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
2162 | 41273 | 97 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
CHEMBL1491 | 41273 | 97 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
12909385 | 60108 | 1 | None | -7 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 276 | 0 | 0 | 2 | 4.0 | CN1CCC(=C2c3ccccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL175154 | 60108 | 1 | None | -7 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 276 | 0 | 0 | 2 | 4.0 | CN1CCC(=C2c3ccccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
135453290 | 133083 | 23 | None | -758 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL371300 | 133083 | 23 | None | -758 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
21509921 | 103979 | 0 | None | -22 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 103979 | 0 | None | -22 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
44288945 | 168349 | 0 | None | -575 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | 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 | 168349 | 0 | None | -575 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | 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 | ||
21509921 | 103979 | 0 | None | -22 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 103979 | 0 | None | -22 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
3080926 | 155055 | 18 | None | 10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL404505 | 155055 | 18 | None | 10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/acs.jmedchem.9b02080 | ||
44330571 | 163447 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL420830 | 163447 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330571 | 163447 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL420830 | 163447 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
9883506 | 70220 | 0 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL194849 | 70220 | 0 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
44371745 | 49024 | 0 | None | 11 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL156336 | 49024 | 0 | None | 11 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
13123527 | 101320 | 3 | None | - | 1 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccc(NCC2=NCCN2)cc1 | 10.1021/jm00366a022 | ||
CHEMBL300053 | 101320 | 3 | None | - | 1 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccc(NCC2=NCCN2)cc1 | 10.1021/jm00366a022 | ||
13141184 | 165337 | 0 | None | -17 | 2 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 1 | 0 | 3 | 5.6 | CN1CCC(=C2c3cc(SC(F)(F)F)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL424967 | 165337 | 0 | None | -17 | 2 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 1 | 0 | 3 | 5.6 | CN1CCC(=C2c3cc(SC(F)(F)F)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
11198145 | 9722 | 2 | None | -85 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL113830 | 9722 | 2 | None | -85 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
16090597 | 140938 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL384318 | 140938 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
44328920 | 108154 | 0 | None | -199 | 6 | Human | 5.6 | pKi | = | 5.6 | 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 | 108154 | 0 | None | -199 | 6 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
44325028 | 205243 | 0 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL91297 | 205243 | 0 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44325079 | 205456 | 0 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 437 | 7 | 0 | 7 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL92496 | 205456 | 0 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 437 | 7 | 0 | 7 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
90644732 | 112221 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 1.0 | CC1CN/C(=N/c2ccc3c(c2)OCO3)N1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289545 | 112221 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 1.0 | CC1CN/C(=N/c2ccc3c(c2)OCO3)N1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304536 | 112221 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 1.0 | CC1CN/C(=N/c2ccc3c(c2)OCO3)N1 | 10.1016/j.ejmech.2014.05.057 | ||
11080 | 28872 | 74 | None | 1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL1381098 | 28872 | 74 | None | 1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL4549667 | 212245 | 3 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3Br)C2=O)COc2ccccc21 | nan | ||||
CHEMBL4777443 | 212286 | 0 | None | -11 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1CCCC1CN[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | ||||
24906241 | 192215 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
CHEMBL522151 | 192215 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
24906200 | 192553 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
CHEMBL523048 | 192553 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
135398737 | 944 | 89 | None | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
38 | 944 | 89 | None | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
722 | 944 | 89 | None | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
CHEMBL42 | 944 | 89 | None | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
DB00363 | 944 | 89 | None | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
126225 | 94535 | 4 | None | -10 | 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 | 94535 | 4 | None | -10 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
45487089 | 195963 | 0 | None | 10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL570863 | 195963 | 0 | None | 10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
10082076 | 13748 | 0 | None | 9 | 3 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL1195953 | 13748 | 0 | None | 9 | 3 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL555637 | 13748 | 0 | None | 9 | 3 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
12841592 | 112995 | 1 | None | - | 1 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL331981 | 112995 | 1 | None | - | 1 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL538788 | 112995 | 1 | None | - | 1 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
9809007 | 171996 | 6 | None | -1905 | 6 | Human | 5.6 | pKi | = | 5.6 | 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 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL448620 | 171996 | 6 | None | -1905 | 6 | Human | 5.6 | pKi | = | 5.6 | 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 | 10.1016/s0960-894x(99)00484-9 | ||
9884781 | 38438 | 1 | None | 1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2 | 10.1021/acs.jmedchem.7b00151 | ||
CHEMBL146556 | 38438 | 1 | None | 1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2 | 10.1021/acs.jmedchem.7b00151 | ||
11624518 | 198659 | 3 | None | -18 | 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.2012.08.011 | ||
CHEMBL597601 | 198659 | 3 | None | -18 | 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.2012.08.011 | ||
415628 | 206451 | 89 | None | -2 | 5 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL9841 | 206451 | 89 | None | -2 | 5 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00366a007 | ||
2389 | 3279 | 114 | None | -35 | 67 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
5073 | 3279 | 114 | None | -35 | 67 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
96 | 3279 | 114 | None | -35 | 67 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
CHEMBL85 | 3279 | 114 | None | -35 | 67 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
DB00734 | 3279 | 114 | None | -35 | 67 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
10220232 | 99260 | 5 | None | -54 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | ||
CHEMBL284795 | 99260 | 5 | None | -54 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | ||
6761 | 67457 | 17 | None | -6 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
CHEMBL1909072 | 67457 | 17 | None | -6 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
44324765 | 111080 | 0 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL328114 | 111080 | 0 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
10220232 | 99260 | 5 | None | 54 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm000128r | ||
CHEMBL284795 | 99260 | 5 | None | 54 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm000128r | ||
23292293 | 57859 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.0 | Clc1cccc2ccc(CC3CN=CN3)cc12 | 10.1021/jm001040g | ||
CHEMBL168168 | 57859 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.0 | Clc1cccc2ccc(CC3CN=CN3)cc12 | 10.1021/jm001040g | ||
44314200 | 102479 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL306377 | 102479 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
11948707 | 165614 | 0 | None | -616 | 13 | Human | 6.6 | pKi | = | 6.6 | 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 | 165614 | 0 | None | -616 | 13 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
11393666 | 192384 | 0 | None | -6456 | 19 | Human | 5.6 | pKi | = | 5.6 | 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 | 192384 | 0 | None | -6456 | 19 | Human | 5.6 | pKi | = | 5.6 | 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 | 192384 | 0 | None | -6456 | 19 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
44401194 | 70951 | 0 | None | -33 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL195706 | 70951 | 0 | None | -33 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
9815610 | 99471 | 15 | None | -13 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2ccsc2CC1 | 10.1021/jm990569e | ||
CHEMBL286246 | 99471 | 15 | None | -13 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2ccsc2CC1 | 10.1021/jm990569e | ||
9815610 | 99471 | 15 | None | 13 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2ccsc2CC1 | 10.1021/jm000128r | ||
CHEMBL286246 | 99471 | 15 | None | 13 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2ccsc2CC1 | 10.1021/jm000128r | ||
5280953 | 96913 | 102 | None | -3 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 212 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[nH]c1c(C)nccc12 | 10.1016/j.bmcl.2003.09.027 | ||
CHEMBL269538 | 96913 | 102 | None | -3 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 212 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[nH]c1c(C)nccc12 | 10.1016/j.bmcl.2003.09.027 | ||
1752 | 45504 | 56 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL153062 | 45504 | 56 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
44438152 | 93175 | 0 | None | -134 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL246639 | 93175 | 0 | None | -134 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | 10.1016/j.bmcl.2006.12.094 | ||
2286 | 3134 | 48 | None | -13 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3134 | 48 | None | -13 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3134 | 48 | None | -13 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3134 | 48 | None | -13 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3134 | 48 | None | -13 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
24906242 | 186664 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2c(cccc2-c2ccccc2)O1 | 10.1021/jm800250z | ||
CHEMBL492647 | 186664 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2c(cccc2-c2ccccc2)O1 | 10.1021/jm800250z | ||
10073773 | 160576 | 13 | None | -1288 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
CHEMBL4082473 | 160576 | 13 | None | -1288 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
CHEMBL4117187 | 160576 | 13 | None | -1288 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
10042547 | 75948 | 3 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 334 | 1 | 1 | 2 | 3.9 | CC1CCC(Nc2ccc(I)cc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL2058635 | 75948 | 3 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 334 | 1 | 1 | 2 | 3.9 | CC1CCC(Nc2ccc(I)cc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | ||
155546767 | 173067 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 456 | 8 | 0 | 7 | 4.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(OC)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4534152 | 173067 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 456 | 8 | 0 | 7 | 4.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(OC)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL1458880 | 37617 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | None | nan | ||||
3778834 | 100850 | 70 | None | 144 | 2 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 208 | 2 | 1 | 5 | 0.4 | O=[N+]([O-])c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL296653 | 100850 | 70 | None | 144 | 2 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 208 | 2 | 1 | 5 | 0.4 | O=[N+]([O-])c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
44324725 | 205090 | 0 | None | -13 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 8 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90419 | 205090 | 0 | None | -13 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 8 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
12114850 | 13137 | 0 | None | 57 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 704 | 5 | 6 | 6 | 4.2 | O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1191424 | 13137 | 0 | None | 57 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 704 | 5 | 6 | 6 | 4.2 | O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL542520 | 13137 | 0 | None | 57 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 704 | 5 | 6 | 6 | 4.2 | O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
44269122 | 97658 | 2 | None | 6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL273485 | 97658 | 2 | None | 6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
45487144 | 196024 | 0 | None | 6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.7 | CC(OC1=NCCN1)c1ccccc1 | 10.1021/jm901262f | ||
CHEMBL571314 | 196024 | 0 | None | 6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.7 | CC(OC1=NCCN1)c1ccccc1 | 10.1021/jm901262f | ||
44269122 | 97658 | 2 | None | 6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL273485 | 97658 | 2 | None | 6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
146025727 | 171119 | 0 | None | -97 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4466483 | 171119 | 0 | None | -97 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
90644746 | 112225 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 2 | 3 | 1 | 4.0 | N=C(Nc1ccccc1)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289521 | 112225 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 2 | 3 | 1 | 4.0 | N=C(Nc1ccccc1)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304553 | 112225 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 2 | 3 | 1 | 4.0 | N=C(Nc1ccccc1)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
90644734 | 112222 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.6 | CCOc1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289546 | 112222 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.6 | CCOc1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304537 | 112222 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.6 | CCOc1ccc(/N=C2/NCC(c3ccco3)N2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
44312198 | 202883 | 0 | None | 1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL73164 | 202883 | 0 | None | 1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL4576555 | 212264 | 3 | None | -2 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1 | nan | ||||
9926143 | 113027 | 1 | None | -467 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 6 | 2 | 4 | 3.0 | O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 | 10.1021/jm990266k | ||
CHEMBL332154 | 113027 | 1 | None | -467 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 6 | 2 | 4 | 3.0 | O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 | 10.1021/jm990266k | ||
44401041 | 70143 | 0 | None | -63 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL194659 | 70143 | 0 | None | -63 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
3080926 | 155055 | 18 | None | 10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/ml400232p | ||
CHEMBL404505 | 155055 | 18 | None | 10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/ml400232p | ||
44579186 | 181394 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.1 | O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL478026 | 181394 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.1 | O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
9815633 | 99174 | 2 | None | -6 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | ||
CHEMBL284213 | 99174 | 2 | None | -6 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | ||
9815633 | 99174 | 2 | None | 6 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | ||
CHEMBL284213 | 99174 | 2 | None | 6 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | ||
11346584 | 136460 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL374584 | 136460 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
11346584 | 136460 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL374584 | 136460 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
11346584 | 136460 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL374584 | 136460 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
10266538 | 116470 | 2 | None | 1 | 2 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2ncc(Br)n3ccnc23)CC1 | 10.1021/jm00099a012 | ||
CHEMBL338704 | 116470 | 2 | None | 1 | 2 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2ncc(Br)n3ccnc23)CC1 | 10.1021/jm00099a012 | ||
4543 | 169982 | 36 | None | -5 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL1201156 | 169982 | 36 | None | -5 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL445 | 169982 | 36 | None | -5 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
9828476 | 205197 | 0 | None | -1202 | 6 | Human | 6.6 | pKi | = | 6.6 | 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 | 205197 | 0 | None | -1202 | 6 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
162265 | 200587 | 19 | None | -12 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
4786 | 200587 | 19 | None | -12 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
CHEMBL61006 | 200587 | 19 | None | -12 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
73346042 | 91402 | 3 | None | -27542 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
CHEMBL2413153 | 91402 | 3 | None | -27542 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
4211 | 57517 | 81 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
CHEMBL1670 | 57517 | 81 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
1028 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
139148732 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
479 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
5816 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
CHEMBL679 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
DB00668 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
10176567 | 102327 | 3 | None | -10 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 200 | 1 | 1 | 2 | 3.3 | c1cc(-c2c[nH]cn2)c2ccsc2c1 | 10.1021/jm990569e | ||
CHEMBL30534 | 102327 | 3 | None | -10 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 200 | 1 | 1 | 2 | 3.3 | c1cc(-c2c[nH]cn2)c2ccsc2c1 | 10.1021/jm990569e | ||
10176567 | 102327 | 3 | None | 10 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 200 | 1 | 1 | 2 | 3.3 | c1cc(-c2c[nH]cn2)c2ccsc2c1 | 10.1021/jm000128r | ||
CHEMBL30534 | 102327 | 3 | None | 10 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 200 | 1 | 1 | 2 | 3.3 | c1cc(-c2c[nH]cn2)c2ccsc2c1 | 10.1021/jm000128r | ||
126720252 | 164123 | 0 | None | 12 | 12 | Human | 7.6 | pKi | = | 7.6 | 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 | 164123 | 0 | None | 12 | 12 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
16655023 | 106955 | 1 | None | -5 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL318235 | 106955 | 1 | None | -5 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
44292232 | 100851 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL296660 | 100851 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
2389 | 3279 | 114 | None | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2020.127506 | ||
5073 | 3279 | 114 | None | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2020.127506 | ||
96 | 3279 | 114 | None | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2020.127506 | ||
CHEMBL85 | 3279 | 114 | None | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2020.127506 | ||
DB00734 | 3279 | 114 | None | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2020.127506 | ||
57345625 | 70835 | 0 | None | 11 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956191 | 70835 | 0 | None | 11 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
44574105 | 178230 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 305 | 5 | 1 | 4 | 1.3 | CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL469127 | 178230 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 305 | 5 | 1 | 4 | 1.3 | CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.166 | ||
24906202 | 186634 | 0 | None | 5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
CHEMBL492444 | 186634 | 0 | None | 5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
11380133 | 168801 | 0 | None | 5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL442045 | 168801 | 0 | None | 5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 | 10.1021/jm0408215 | ||
44456400 | 12725 | 0 | None | -1 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL1188501 | 12725 | 0 | None | -1 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL2436555 | 12725 | 0 | None | -1 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL536539 | 12725 | 0 | None | -1 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
13091268 | 77845 | 0 | None | -3090 | 14 | Human | 5.6 | pKi | = | 5.6 | 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 | 77845 | 0 | None | -3090 | 14 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
24906159 | 186822 | 12 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL493675 | 186822 | 12 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
11203101 | 71339 | 0 | None | -44 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 515 | 7 | 3 | 5 | 4.1 | O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL196451 | 71339 | 0 | None | -44 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 515 | 7 | 3 | 5 | 4.1 | O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
11811395 | 202995 | 0 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74071 | 202995 | 0 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11777109 | 116466 | 0 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 254 | 0 | 1 | 2 | 2.9 | Clc1cc(Cl)c2c(c1)CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
CHEMBL338683 | 116466 | 0 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 254 | 0 | 1 | 2 | 2.9 | Clc1cc(Cl)c2c(c1)CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
9837106 | 103680 | 2 | None | 8 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2sccc2CC1 | 10.1021/jm990569e | ||
CHEMBL30955 | 103680 | 2 | None | 8 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2sccc2CC1 | 10.1021/jm990569e | ||
44330427 | 162823 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL419336 | 162823 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
9837106 | 103680 | 2 | None | 8 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2sccc2CC1 | 10.1021/jm000128r | ||
CHEMBL30955 | 103680 | 2 | None | 8 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.8 | C1=C(c2c[nH]cn2)c2sccc2CC1 | 10.1021/jm000128r | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 10.1016/j.bmcl.2013.01.025 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 10.1016/j.bmcl.2013.01.025 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 10.1016/j.bmcl.2013.01.025 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 10.1016/j.bmcl.2013.01.025 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 10.1016/j.bmcl.2013.01.025 | ||
16655023 | 106955 | 1 | None | -5 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL318235 | 106955 | 1 | None | -5 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/jm990277d | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/jm990277d | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/jm990277d | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/jm990277d | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/jm990277d | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/acs.jmedchem.9b01465 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/acs.jmedchem.9b01465 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/acs.jmedchem.9b01465 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/acs.jmedchem.9b01465 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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/acs.jmedchem.9b01465 | ||
12576 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm001040g | ||
71310 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm001040g | ||
CHEMBL353972 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm001040g | ||
DB11481 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm001040g | ||
10585356 | 120098 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 226 | 1 | 1 | 2 | 2.2 | C1=NC[C@@H](C2C[C@@]23CCc2ccccc2C3)N1 | 10.1021/jm001040g | ||
135433755 | 120098 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 226 | 1 | 1 | 2 | 2.2 | C1=NC[C@@H](C2C[C@@]23CCc2ccccc2C3)N1 | 10.1021/jm001040g | ||
CHEMBL354611 | 120098 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 226 | 1 | 1 | 2 | 2.2 | C1=NC[C@@H](C2C[C@@]23CCc2ccccc2C3)N1 | 10.1021/jm001040g | ||
78114676 | 169274 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 402 | 6 | 0 | 6 | 3.3 | CCOP(=O)(OCC)C1N=CC2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4439953 | 169274 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 402 | 6 | 0 | 6 | 3.3 | CCOP(=O)(OCC)C1N=CC2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
13123529 | 101393 | 0 | None | - | 1 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 203 | 3 | 1 | 3 | 1.4 | Cc1ccc(N(C)CC2=NCCN2)cc1 | 10.1021/jm00366a022 | ||
CHEMBL300628 | 101393 | 0 | None | - | 1 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 203 | 3 | 1 | 3 | 1.4 | Cc1ccc(N(C)CC2=NCCN2)cc1 | 10.1021/jm00366a022 | ||
49781006 | 17058 | 0 | None | 2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256565 | 17058 | 0 | None | 2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
136 | 3240 | 28 | None | -16 | 16 | Bovine | 8.5 | pKi | = | 8.5 | 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 | 3240 | 28 | None | -16 | 16 | Bovine | 8.5 | pKi | = | 8.5 | 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 | 3240 | 28 | None | -16 | 16 | Bovine | 8.5 | pKi | = | 8.5 | 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 | 3240 | 28 | None | -16 | 16 | Bovine | 8.5 | pKi | = | 8.5 | 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 | ||
16655023 | 106955 | 1 | None | -5 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL318235 | 106955 | 1 | None | -5 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
16655023 | 106955 | 1 | None | -5 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL318235 | 106955 | 1 | None | -5 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
499 | 4014 | 15 | None | -16 | 15 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
5685 | 4014 | 15 | None | -16 | 15 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
CHEMBL25554 | 4014 | 15 | None | -16 | 15 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
2389 | 3279 | 114 | None | -69 | 67 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3279 | 114 | None | -69 | 67 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3279 | 114 | None | -69 | 67 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3279 | 114 | None | -69 | 67 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3279 | 114 | None | -69 | 67 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
49781887 | 16963 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
CHEMBL1255617 | 16963 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
9990389 | 119926 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 200 | 2 | 1 | 2 | 1.8 | C1=NCC(CC2Cc3ccccc3C2)N1 | 10.1021/jm001040g | ||
CHEMBL353843 | 119926 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 200 | 2 | 1 | 2 | 1.8 | C1=NCC(CC2Cc3ccccc3C2)N1 | 10.1021/jm001040g | ||
49781007 | 17059 | 0 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256566 | 17059 | 0 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
240 | 931 | 39 | None | -3 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00013a009 | ||
2769 | 931 | 39 | None | -3 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00013a009 | ||
44279790 | 931 | 39 | None | -3 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00013a009 | ||
660 | 931 | 39 | None | -3 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00013a009 | ||
CHEMBL1729 | 931 | 39 | None | -3 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00013a009 | ||
CHEMBL560739 | 931 | 39 | None | -3 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00013a009 | ||
DB00604 | 931 | 39 | None | -3 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00013a009 | ||
44324972 | 162820 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL419316 | 162820 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
9971924 | 183644 | 0 | None | 3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL48341 | 183644 | 0 | None | 3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
13123531 | 187658 | 0 | None | - | 1 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 217 | 4 | 1 | 3 | 1.8 | CCN(CC1=NCCN1)c1ccc(C)cc1 | 10.1021/jm00366a022 | ||
CHEMBL49953 | 187658 | 0 | None | - | 1 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 217 | 4 | 1 | 3 | 1.8 | CCN(CC1=NCCN1)c1ccc(C)cc1 | 10.1021/jm00366a022 | ||
9953974 | 77480 | 0 | None | -24 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
CHEMBL2092927 | 77480 | 0 | None | -24 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
7059292 | 75947 | 7 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 194 | 1 | 1 | 2 | 2.9 | Clc1ccccc1NC1=NCCC1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL2058633 | 75947 | 7 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 194 | 1 | 1 | 2 | 2.9 | Clc1ccccc1NC1=NCCC1 | 10.1016/j.bmc.2012.06.008 | ||
9894818 | 98468 | 0 | None | -83 | 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 | 98468 | 0 | None | -83 | 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 | ||
44401042 | 124309 | 0 | None | -81 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL364270 | 124309 | 0 | None | -81 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
11225732 | 93224 | 0 | None | -16 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL246852 | 93224 | 0 | None | -16 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
10198248 | 186866 | 35 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL49395 | 186866 | 35 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
11199581 | 136036 | 0 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL373830 | 136036 | 0 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 | 10.1021/jm0408215 | ||
9944467 | 9161 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 2 | 2 | 2 | 3.4 | O=C(Nc1cccc2c1CCCC2c1c[nH]cn1)C(F)(F)F | 10.1021/jm030551a | ||
CHEMBL110751 | 9161 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 2 | 2 | 2 | 3.4 | O=C(Nc1cccc2c1CCCC2c1c[nH]cn1)C(F)(F)F | 10.1021/jm030551a | ||
9794524 | 203135 | 2 | None | 10 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 2.4 | Cc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | ||
CHEMBL75491 | 203135 | 2 | None | 10 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 2.4 | Cc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | ||
10946567 | 16292 | 0 | None | -25 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
CHEMBL123448 | 16292 | 0 | None | -25 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
15463615 | 119858 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 246 | 2 | 1 | 2 | 3.1 | Clc1cccc2c1C=C(CC1CN=CN1)CC2 | 10.1021/jm001040g | ||
CHEMBL353200 | 119858 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 246 | 2 | 1 | 2 | 3.1 | Clc1cccc2c1C=C(CC1CN=CN1)CC2 | 10.1021/jm001040g | ||
44371864 | 50868 | 0 | None | 8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL157955 | 50868 | 0 | None | 8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
13141183 | 161414 | 1 | None | -15 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 310 | 0 | 0 | 2 | 4.6 | CN1CCC(=C2c3cc(Cl)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL415761 | 161414 | 1 | None | -15 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 310 | 0 | 0 | 2 | 4.6 | CN1CCC(=C2c3cc(Cl)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
10045088 | 80176 | 0 | None | -407 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
CHEMBL214996 | 80176 | 0 | None | -407 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
16090631 | 81979 | 0 | None | -630 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1021/jm060262x | ||
CHEMBL217253 | 81979 | 0 | None | -630 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1021/jm060262x | ||
10632290 | 203038 | 4 | None | 2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 211 | 2 | 2 | 4 | 2.1 | c1c[nH]c(Nc2ccc3nccnc3c2)n1 | 10.1021/jm9605142 | ||
CHEMBL74449 | 203038 | 4 | None | 2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 211 | 2 | 2 | 4 | 2.1 | c1c[nH]c(Nc2ccc3nccnc3c2)n1 | 10.1021/jm9605142 | ||
3191 | 102385 | 93 | None | -8 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL305660 | 102385 | 93 | None | -8 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
122295 | 9775 | 6 | None | -9 | 9 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | ||
CHEMBL114166 | 9775 | 6 | None | -9 | 9 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | ||
72947315 | 92057 | 0 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
CHEMBL2431280 | 92057 | 0 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
44456400 | 12725 | 0 | None | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL1188501 | 12725 | 0 | None | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL2436555 | 12725 | 0 | None | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL536539 | 12725 | 0 | None | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
57400959 | 70844 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956200 | 70844 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
10337773 | 101114 | 0 | None | -79 | 10 | Human | 4.5 | pKi | = | 4.5 | 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 | 101114 | 0 | None | -79 | 10 | Human | 4.5 | pKi | = | 4.5 | 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 | ||
6424833 | 98715 | 94 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 178 | 1 | 1 | 3 | 1.2 | O=[N+]([O-])c1ccc2c(c1)CNCC2 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL281289 | 98715 | 94 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 178 | 1 | 1 | 3 | 1.2 | O=[N+]([O-])c1ccc2c(c1)CNCC2 | 10.1016/j.bmcl.2004.12.013 | ||
10584556 | 206255 | 3 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 210 | 2 | 1 | 3 | 1.6 | O=[N+]([O-])c1ccc2c(c1)CNC(CF)C2 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL97282 | 206255 | 3 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 210 | 2 | 1 | 3 | 1.6 | O=[N+]([O-])c1ccc2c(c1)CNC(CF)C2 | 10.1016/j.bmcl.2004.12.013 | ||
3930 | 2120 | 36 | None | -112 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
540335 | 2120 | 36 | None | -112 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
CHEMBL106525 | 2120 | 36 | None | -112 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
132075278 | 162094 | 0 | None | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 308 | 3 | 0 | 3 | 3.1 | c1ccc(CN2CCc3cc(N4CCOCC4)ccc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4169752 | 162094 | 0 | None | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 308 | 3 | 0 | 3 | 3.1 | c1ccc(CN2CCc3cc(N4CCOCC4)ccc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
44415689 | 138579 | 0 | None | -363 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 494 | 2 | 2 | 6 | 4.7 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
CHEMBL378669 | 138579 | 0 | None | -363 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 494 | 2 | 2 | 6 | 4.7 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
11385652 | 78526 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 460 | 6 | 0 | 6 | 3.7 | CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL2112975 | 78526 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 460 | 6 | 0 | 6 | 3.7 | CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
118717248 | 114626 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL3343699 | 114626 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | ||
4038180 | 202 | 11 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
480 | 202 | 11 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL109783 | 202 | 11 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
4038180 | 202 | 11 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
480 | 202 | 11 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
CHEMBL109783 | 202 | 11 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
11186227 | 84298 | 0 | None | 9 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222798 | 84298 | 0 | None | 9 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
13141187 | 130194 | 0 | None | -9 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 1 | 0 | 3 | 5.2 | CN1CCC(=C2c3cc(SC(F)(F)F)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL368475 | 130194 | 0 | None | -9 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 1 | 0 | 3 | 5.2 | CN1CCC(=C2c3cc(SC(F)(F)F)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
9809007 | 171996 | 6 | None | -1905 | 6 | Human | 5.5 | pKi | = | 5.5 | 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 | 171996 | 6 | None | -1905 | 6 | Human | 5.5 | pKi | = | 5.5 | 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 | ||
162658038 | 180564 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 530 | 10 | 5 | 13 | 0.4 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4760727 | 180564 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 530 | 10 | 5 | 13 | 0.4 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
70788951 | 26948 | 1 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL1366 | 26948 | 1 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | None | nan | ||||
90644726 | 112211 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 218 | 2 | 2 | 2 | 1.3 | CC1CN/C(=N/c2ccc(N(C)C)cc2)N1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289542 | 112211 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 218 | 2 | 2 | 2 | 1.3 | CC1CN/C(=N/c2ccc(N(C)C)cc2)N1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304469 | 112211 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 218 | 2 | 2 | 2 | 1.3 | CC1CN/C(=N/c2ccc(N(C)C)cc2)N1 | 10.1016/j.ejmech.2014.05.057 | ||
155539605 | 172276 | 0 | None | -14 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
CHEMBL4514672 | 172276 | 0 | None | -14 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
8447 | 188362 | 80 | None | -4 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
CHEMBL508112 | 188362 | 80 | None | -4 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
11199593 | 136675 | 0 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 1 | 3 | 3.8 | CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL374954 | 136675 | 0 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 1 | 3 | 3.8 | CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
44288769 | 100679 | 0 | None | -3090 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | 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 | 100679 | 0 | None | -3090 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | 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 | ||
10176433 | 20448 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 186 | 0 | 1 | 2 | 1.5 | C1=NCC2(CCc3ccccc3C2)N1 | 10.1021/jm00020a021 | ||
CHEMBL130853 | 20448 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 186 | 0 | 1 | 2 | 1.5 | C1=NCC2(CCc3ccccc3C2)N1 | 10.1021/jm00020a021 | ||
135398737 | 944 | 89 | None | -26 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 944 | 89 | None | -26 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 944 | 89 | None | -26 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 944 | 89 | None | -26 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 944 | 89 | None | -26 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
44325027 | 205345 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL91824 | 205345 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
45487958 | 196714 | 0 | None | 11 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL576819 | 196714 | 0 | None | 11 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
10376607 | 13249 | 0 | None | 1 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cnc(N2CCNCC2)c2ncc(C)n12 | 10.1021/jm00099a012 | ||
CHEMBL1192423 | 13249 | 0 | None | 1 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cnc(N2CCNCC2)c2ncc(C)n12 | 10.1021/jm00099a012 | ||
CHEMBL543653 | 13249 | 0 | None | 1 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cnc(N2CCNCC2)c2ncc(C)n12 | 10.1021/jm00099a012 | ||
10332138 | 9468 | 3 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 2.2 | O=[N+]([O-])c1ccc2c(c1)CNC(C(F)(F)F)C2 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL112351 | 9468 | 3 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 2.2 | O=[N+]([O-])c1ccc2c(c1)CNC(C(F)(F)F)C2 | 10.1016/j.bmcl.2004.12.013 | ||
5226 | 96616 | 29 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 212 | 1 | 2 | 3 | -0.0 | NS(=O)(=O)c1ccc2c(c1)CNCC2 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL26717 | 96616 | 29 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 212 | 1 | 2 | 3 | -0.0 | NS(=O)(=O)c1ccc2c(c1)CNCC2 | 10.1016/j.bmcl.2004.12.013 | ||
75201901 | 165872 | 14 | None | -251 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4277264 | 165872 | 14 | None | -251 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
213 | 3792 | 50 | None | -6 | 43 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2717 | 3792 | 50 | None | -6 | 43 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5533 | 3792 | 50 | None | -6 | 43 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
CHEMBL621 | 3792 | 50 | None | -6 | 43 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
DB00656 | 3792 | 50 | None | -6 | 43 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
9798466 | 133755 | 1 | None | -44 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.3 | Cc1ccc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C | 10.1016/s0960-894x(98)00252-2 | ||
CHEMBL37170 | 133755 | 1 | None | -44 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.3 | Cc1ccc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C | 10.1016/s0960-894x(98)00252-2 | ||
14004037 | 53489 | 2 | None | 8 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 209 | 0 | 1 | 4 | 1.8 | Nc1nc2c(s1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
CHEMBL160388 | 53489 | 2 | None | 8 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 209 | 0 | 1 | 4 | 1.8 | Nc1nc2c(s1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
36324 | 26916 | 71 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 4.9 | Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1 | nan | ||
CHEMBL1365675 | 26916 | 71 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 4.9 | Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1 | nan | ||
14004037 | 53489 | 2 | None | 8 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 209 | 0 | 1 | 4 | 1.8 | Nc1nc2c(s1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
CHEMBL160388 | 53489 | 2 | None | 8 | 2 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 209 | 0 | 1 | 4 | 1.8 | Nc1nc2c(s1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
46869265 | 16081 | 0 | None | -16 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | ||
CHEMBL1224527 | 16081 | 0 | None | -16 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | ||
1548953 | 205945 | 24 | None | -1 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
CHEMBL954 | 205945 | 24 | None | -1 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
9895326 | 205299 | 0 | None | -331 | 6 | Human | 6.5 | pKi | = | 6.5 | 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 | 205299 | 0 | None | -331 | 6 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
57345628 | 70839 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956195 | 70839 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
57345628 | 70839 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956195 | 70839 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
68712 | 99874 | 57 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL289480 | 99874 | 57 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | ||
57345628 | 70839 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1956195 | 70839 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
11608298 | 64745 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 228 | 2 | 1 | 3 | 1.9 | O=[N+]([O-])c1ccc2c(c1)CNC(C(F)F)C2 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL182376 | 64745 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 228 | 2 | 1 | 3 | 1.9 | O=[N+]([O-])c1ccc2c(c1)CNC(C(F)F)C2 | 10.1016/j.bmcl.2004.12.013 | ||
16090634 | 81882 | 0 | None | -4 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 296 | 3 | 1 | 4 | 3.2 | Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | ||
CHEMBL217180 | 81882 | 0 | None | -4 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 296 | 3 | 1 | 4 | 3.2 | Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | ||
3072540 | 82003 | 13 | None | -97 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
CHEMBL217366 | 82003 | 13 | None | -97 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
9817256 | 202536 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL71001 | 202536 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
44390749 | 63579 | 0 | None | -199 | 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 | 63579 | 0 | None | -199 | 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 | ||
441383 | 20133 | 54 | None | -2 | 17 | Human | 6.4 | pKi | = | 6.4 | 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 | 20133 | 54 | None | -2 | 17 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
94459 | 63943 | 121 | None | 64 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 163 | 1 | 1 | 3 | 0.5 | c1ccc(N2CCNCC2)nc1 | 10.1021/jm00366a007 | ||
CHEMBL18094 | 63943 | 121 | None | 64 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 163 | 1 | 1 | 3 | 0.5 | c1ccc(N2CCNCC2)nc1 | 10.1021/jm00366a007 | ||
3086326 | 202826 | 17 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72753 | 202826 | 17 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
11173568 | 84218 | 0 | None | 8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222371 | 84218 | 0 | None | 8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
10083242 | 13722 | 0 | None | 5 | 3 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL1195814 | 13722 | 0 | None | 5 | 3 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL555391 | 13722 | 0 | None | 5 | 3 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
3584 | 3718 | 60 | None | -251 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
5401 | 3718 | 60 | None | -251 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
7302 | 3718 | 60 | None | -251 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
CHEMBL611 | 3718 | 60 | None | -251 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
DB01162 | 3718 | 60 | None | -251 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
9894818 | 98468 | 0 | None | -83 | 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 | 98468 | 0 | None | -83 | 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 | ||
155547141 | 173047 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 518 | 9 | 0 | 7 | 5.8 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4533687 | 173047 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 518 | 9 | 0 | 7 | 5.8 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
56964794 | 73716 | 0 | None | -19 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 418 | 3 | 0 | 5 | 4.8 | Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2 | 10.1021/jm2013419 | ||
CHEMBL2022272 | 73716 | 0 | None | -19 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 418 | 3 | 0 | 5 | 4.8 | Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2 | 10.1021/jm2013419 | ||
12774559 | 189018 | 0 | None | - | 1 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 191 | 3 | 3 | 4 | 0.8 | Oc1cccc(NCC2=NCCN2)c1 | 10.1021/jm00366a022 | ||
CHEMBL51479 | 189018 | 0 | None | - | 1 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 191 | 3 | 3 | 4 | 0.8 | Oc1cccc(NCC2=NCCN2)c1 | 10.1021/jm00366a022 | ||
44574080 | 188359 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 264 | 2 | 0 | 4 | 2.6 | Cn1cc(-c2ccccc2[C@@H]2Cc3nccn3C2)cn1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL508084 | 188359 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 264 | 2 | 0 | 4 | 2.6 | Cn1cc(-c2ccccc2[C@@H]2Cc3nccn3C2)cn1 | 10.1016/j.bmcl.2009.03.166 | ||
44312036 | 202859 | 0 | None | -5 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72995 | 202859 | 0 | None | -5 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
57401787 | 70909 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL1956906 | 70909 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
90644724 | 112213 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 3 | 2 | 3.2 | CN(C)c1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289522 | 112213 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 3 | 2 | 3.2 | CN(C)c1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304483 | 112213 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 3 | 2 | 3.2 | CN(C)c1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
10221005 | 202619 | 0 | None | -5 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL71479 | 202619 | 0 | None | -5 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
10682720 | 203451 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 3.8 | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C | 10.1021/jm9605142 | ||
CHEMBL78190 | 203451 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 3.8 | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C | 10.1021/jm9605142 | ||
12981867 | 119851 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 230 | 2 | 1 | 2 | 2.5 | Fc1cccc2c1C=C(CC1CN=CN1)CC2 | 10.1021/jm001040g | ||
CHEMBL353139 | 119851 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 230 | 2 | 1 | 2 | 2.5 | Fc1cccc2c1C=C(CC1CN=CN1)CC2 | 10.1021/jm001040g | ||
49836308 | 18597 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1278084 | 18597 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
11651319 | 181046 | 24 | None | 17 | 2 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cnccc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL47740 | 181046 | 24 | None | 17 | 2 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cnccc1N1CCNCC1 | 10.1021/jm00366a007 | ||
21584368 | 198170 | 3 | None | 4 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 208 | 2 | 2 | 4 | 0.6 | O=[N+]([O-])c1ccc2c(c1)CNC(CO)C2 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL59441 | 198170 | 3 | None | 4 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 208 | 2 | 2 | 4 | 0.6 | O=[N+]([O-])c1ccc2c(c1)CNC(CO)C2 | 10.1016/j.bmcl.2004.12.013 | ||
164585473 | 183979 | 0 | None | -7 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | 183979 | 0 | None | -7 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
10841387 | 99157 | 0 | None | -112 | 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 | 99157 | 0 | None | -112 | 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 | ||
11079593 | 202415 | 0 | None | 1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70326 | 202415 | 0 | None | 1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
10841387 | 99157 | 0 | None | -112 | 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/jm980077m | ||
CHEMBL284103 | 99157 | 0 | None | -112 | 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/jm980077m | ||
153287574 | 174675 | 0 | None | -5 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4572167 | 174675 | 0 | None | -5 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
24906203 | 186635 | 0 | None | 2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
CHEMBL492445 | 186635 | 0 | None | 2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
57384051 | 70905 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc([C@@H]2CO[C@@H](C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL1956902 | 70905 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc([C@@H]2CO[C@@H](C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
136274357 | 78534 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
CHEMBL2112984 | 78534 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
49864336 | 15441 | 0 | None | 11 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL1221545 | 15441 | 0 | None | 11 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
13507646 | 119109 | 0 | None | 3 | 2 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 243 | 0 | 0 | 2 | 4.0 | c1ccc2c3c(sc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
CHEMBL346492 | 119109 | 0 | None | 3 | 2 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 243 | 0 | 0 | 2 | 4.0 | c1ccc2c3c(sc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
13507646 | 119109 | 0 | None | 3 | 2 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 243 | 0 | 0 | 2 | 4.0 | c1ccc2c3c(sc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
CHEMBL346492 | 119109 | 0 | None | 3 | 2 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 243 | 0 | 0 | 2 | 4.0 | c1ccc2c3c(sc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
1593 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
30668 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
9868 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL17860 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
DB04948 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
102 | 4064 | 44 | None | -15 | 49 | Pig | 8.4 | pKi | = | 8.4 | 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 | 4064 | 44 | None | -15 | 49 | Pig | 8.4 | pKi | = | 8.4 | 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 | 4064 | 44 | None | -15 | 49 | Pig | 8.4 | pKi | = | 8.4 | 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 | 4064 | 44 | None | -15 | 49 | Pig | 8.4 | pKi | = | 8.4 | 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 | 4064 | 44 | None | -15 | 49 | Pig | 8.4 | pKi | = | 8.4 | 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 | ||
78114881 | 171215 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 288 | 5 | 0 | 6 | 0.9 | CCOP(=O)(OCC)C1N=CC2C(=O)N(C)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4467833 | 171215 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 288 | 5 | 0 | 6 | 0.9 | CCOP(=O)(OCC)C1N=CC2C(=O)N(C)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
42273326 | 15440 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 403 | 7 | 1 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL1221544 | 15440 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 403 | 7 | 1 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
136 | 3240 | 28 | None | -3 | 16 | 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/jm00019a001 | ||
223 | 3240 | 28 | None | -3 | 16 | 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/jm00019a001 | ||
643606 | 3240 | 28 | None | -3 | 16 | 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/jm00019a001 | ||
CHEMBL10347 | 3240 | 28 | None | -3 | 16 | 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/jm00019a001 | ||
42388639 | 187471 | 0 | None | -1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL497749 | 187471 | 0 | None | -1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
11191321 | 62656 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 6 | 0 | 7 | 4.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL178588 | 62656 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 6 | 0 | 7 | 4.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
2142 | 3047 | 54 | None | -2 | 36 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
4920903 | 3047 | 54 | None | -2 | 36 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
502 | 3047 | 54 | None | -2 | 36 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
5775 | 3047 | 54 | None | -2 | 36 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
CHEMBL597 | 3047 | 54 | None | -2 | 36 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
DB00692 | 3047 | 54 | None | -2 | 36 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
44404326 | 133001 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 283 | 3 | 2 | 5 | 2.7 | Cc1ccc(N(NC2=NCCO2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL370818 | 133001 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 283 | 3 | 2 | 5 | 2.7 | Cc1ccc(N(NC2=NCCO2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
135 | 2496 | 38 | None | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
1796 | 2496 | 38 | None | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
4184 | 2496 | 38 | None | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
CHEMBL6437 | 2496 | 38 | None | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
DB06148 | 2496 | 38 | None | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
9795515 | 203112 | 0 | None | 17 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 273 | 3 | 2 | 3 | 4.1 | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C | 10.1021/jm9605142 | ||
CHEMBL75257 | 203112 | 0 | None | 17 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 273 | 3 | 2 | 3 | 4.1 | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C | 10.1021/jm9605142 | ||
2585 | 790 | 100 | None | -28 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
522 | 790 | 100 | None | -28 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
551 | 790 | 100 | None | -28 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
CHEMBL723 | 790 | 100 | None | -28 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
DB01136 | 790 | 100 | None | -28 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
155515982 | 169443 | 0 | None | -1584 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
CHEMBL4442460 | 169443 | 0 | None | -1584 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
44438147 | 93056 | 0 | None | -20 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL246228 | 93056 | 0 | None | -20 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
10032383 | 109621 | 0 | None | -389 | 6 | Human | 6.4 | pKi | = | 6.4 | 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 | 109621 | 0 | None | -389 | 6 | Human | 6.4 | pKi | = | 6.4 | 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 | 109621 | 0 | None | -389 | 6 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
73213196 | 103981 | 1 | None | -3 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
CHEMBL3104093 | 103981 | 1 | None | -3 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
73213196 | 103981 | 1 | None | -3 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 103981 | 1 | None | -3 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
44401105 | 69233 | 0 | None | -45 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL193435 | 69233 | 0 | None | -45 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1021/jm049632c | ||
73213196 | 103981 | 1 | None | -3 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 103981 | 1 | None | -3 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
11109088 | 202479 | 0 | None | -8 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70751 | 202479 | 0 | None | -8 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
70695474 | 77319 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2089156 | 77319 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
11173544 | 165708 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL426900 | 165708 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
70695474 | 77319 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL2089156 | 77319 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
4209 | 3114 | 71 | None | -1862 | 33 | Pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
4893 | 3114 | 71 | None | -1862 | 33 | Pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
503 | 3114 | 71 | None | -1862 | 33 | Pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
5385 | 3114 | 71 | None | -1862 | 33 | Pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
CHEMBL2 | 3114 | 71 | None | -1862 | 33 | Pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
DB00457 | 3114 | 71 | None | -1862 | 33 | Pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
9885114 | 119099 | 3 | None | -95 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
CHEMBL346389 | 119099 | 3 | None | -95 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
9885114 | 119099 | 3 | None | -95 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/acs.jmedchem.7b00151 | ||
CHEMBL346389 | 119099 | 3 | None | -95 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/acs.jmedchem.7b00151 | ||
57326584 | 73717 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 1 | 0 | 5 | 4.9 | Clc1ccc2c(c1)N=C(N1CCN(C3CCCCC3)CC1)c1cccnc1O2 | 10.1021/jm2013419 | ||
CHEMBL2022273 | 73717 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 1 | 0 | 5 | 4.9 | Clc1ccc2c(c1)N=C(N1CCN(C3CCCCC3)CC1)c1cccnc1O2 | 10.1021/jm2013419 | ||
24906196 | 186663 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL492639 | 186663 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
11500225 | 100731 | 57 | None | 38 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 289 | 1 | 1 | 3 | 1.1 | Ic1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL295764 | 100731 | 57 | None | 38 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 289 | 1 | 1 | 3 | 1.1 | Ic1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
44438167 | 148438 | 0 | None | -52 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL394218 | 148438 | 0 | None | -52 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
1265 | 929 | 54 | None | -75 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
6422124 | 929 | 54 | None | -75 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
CHEMBL14638 | 929 | 54 | None | -75 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
13123533 | 193240 | 1 | None | - | 1 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 1 | 3 | 3.1 | Cc1ccc(N(CC2=NCCN2)C2CCCCC2)cc1 | 10.1021/jm00366a022 | ||
CHEMBL541208 | 193240 | 1 | None | - | 1 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 1 | 3 | 3.1 | Cc1ccc(N(CC2=NCCN2)C2CCCCC2)cc1 | 10.1021/jm00366a022 | ||
62381256 | 112269 | 2 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 221 | 5 | 3 | 2 | 2.4 | CCCNC(=N)Nc1ccc(OCC)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289535 | 112269 | 2 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 221 | 5 | 3 | 2 | 2.4 | CCCNC(=N)Nc1ccc(OCC)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305460 | 112269 | 2 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 221 | 5 | 3 | 2 | 2.4 | CCCNC(=N)Nc1ccc(OCC)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
13869716 | 159733 | 7 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 199 | 1 | 1 | 3 | 1.5 | Cn1c(C2=NCCN2)cc2ccccc21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL41103 | 159733 | 7 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 199 | 1 | 1 | 3 | 1.5 | Cn1c(C2=NCCN2)cc2ccccc21 | 10.1021/acs.jmedchem.9b02080 | ||
71456239 | 78530 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL2112979 | 78530 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
13141185 | 60165 | 0 | None | -9 | 2 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 356 | 0 | 0 | 2 | 4.3 | CN1CCC(=C2c3cc(Br)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL175508 | 60165 | 0 | None | -9 | 2 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 356 | 0 | 0 | 2 | 4.3 | CN1CCC(=C2c3cc(Br)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
10401405 | 9585 | 15 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 279 | 0 | 1 | 1 | 3.0 | FC(F)(F)C1Cc2ccc(Br)cc2CN1 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL112964 | 9585 | 15 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 279 | 0 | 1 | 1 | 3.0 | FC(F)(F)C1Cc2ccc(Br)cc2CN1 | 10.1016/j.bmcl.2004.12.013 | ||
2719 | 904 | 66 | None | -4 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
5535 | 904 | 66 | None | -4 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
607 | 904 | 66 | None | -4 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
CHEMBL76 | 904 | 66 | None | -4 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
DB00608 | 904 | 66 | None | -4 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
45588795 | 112260 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 255 | 2 | 3 | 3 | 2.9 | N=C(Nc1ccccc1)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289534 | 112260 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 255 | 2 | 3 | 3 | 2.9 | N=C(Nc1ccccc1)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305316 | 112260 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 255 | 2 | 3 | 3 | 2.9 | N=C(Nc1ccccc1)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2014.05.057 | ||
4098 | 32289 | 24 | None | -13 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL1255739 | 32289 | 24 | None | -13 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL1411979 | 32289 | 24 | None | -13 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
49836304 | 18384 | 1 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276219 | 18384 | 1 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
70693375 | 77318 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2089155 | 77318 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
49836304 | 18384 | 1 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276219 | 18384 | 1 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
49836305 | 18389 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276248 | 18389 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
70693375 | 77318 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL2089155 | 77318 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
9944409 | 7532 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL108804 | 7532 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
44579272 | 186512 | 0 | None | -14 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL491420 | 186512 | 0 | None | -14 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
10397358 | 174415 | 39 | None | 70 | 2 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 178 | 1 | 2 | 4 | 0.1 | Nc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL45665 | 174415 | 39 | None | 70 | 2 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 178 | 1 | 2 | 4 | 0.1 | Nc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
44579231 | 180985 | 0 | None | -28 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.7 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL476774 | 180985 | 0 | None | -28 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.7 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1 | 10.1016/j.bmcl.2008.08.055 | ||
135418497 | 62710 | 0 | None | -1949 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | ||
CHEMBL1788222 | 62710 | 0 | None | -1949 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | ||
2812 | 4711 | 96 | None | -32 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4711 | 96 | None | -32 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
10531532 | 205365 | 0 | None | -51 | 6 | Human | 6.4 | pKi | = | 6.4 | 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 | 205365 | 0 | None | -51 | 6 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
10199335 | 203039 | 0 | None | -5 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74467 | 203039 | 0 | None | -5 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
49781008 | 17068 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 17068 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
11371902 | 141106 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL385310 | 141106 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
11371902 | 141106 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL385310 | 141106 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
121938 | 141363 | 15 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 215 | 0 | 1 | 1 | 3.0 | Clc1ccc2c(c1Cl)CNCCC2 | 10.1021/jm0205752 | ||
CHEMBL38681 | 141363 | 15 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 215 | 0 | 1 | 1 | 3.0 | Clc1ccc2c(c1Cl)CNCCC2 | 10.1021/jm0205752 | ||
10436842 | 99792 | 0 | None | -5754 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | 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 | 99792 | 0 | None | -5754 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | 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 | ||
57326586 | 73718 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 5 | 1 | 7 | 2.5 | OCCOCCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1 | 10.1021/jm2013419 | ||
CHEMBL2022275 | 73718 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 5 | 1 | 7 | 2.5 | OCCOCCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1 | 10.1021/jm2013419 | ||
44438165 | 166231 | 0 | None | -48 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL428407 | 166231 | 0 | None | -48 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
16007117 | 79626 | 0 | None | -457 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 479 | 2 | 1 | 5 | 5.1 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
CHEMBL212912 | 79626 | 0 | None | -457 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 479 | 2 | 1 | 5 | 5.1 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
44415704 | 79749 | 0 | None | -158 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 474 | 2 | 2 | 6 | 4.4 | Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
CHEMBL213424 | 79749 | 0 | None | -158 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 474 | 2 | 2 | 6 | 4.4 | Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
155538007 | 171789 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 7 | 0 | 6 | 4.1 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(F)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4475933 | 171789 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 7 | 0 | 6 | 4.1 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(F)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
3561 | 18886 | 34 | None | -1 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
CHEMBL1289 | 18886 | 34 | None | -1 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
499 | 4014 | 15 | None | -426 | 15 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
5685 | 4014 | 15 | None | -426 | 15 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
CHEMBL25554 | 4014 | 15 | None | -426 | 15 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
11300487 | 84578 | 0 | None | 5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223830 | 84578 | 0 | None | 5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
10467319 | 202145 | 11 | None | -9 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 250 | 0 | 2 | 1 | 2.6 | Brc1cccc2c3c([nH]c12)CNCC3 | 10.1016/j.bmcl.2003.11.078 | ||
CHEMBL6857 | 202145 | 11 | None | -9 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 250 | 0 | 2 | 1 | 2.6 | Brc1cccc2c3c([nH]c12)CNCC3 | 10.1016/j.bmcl.2003.11.078 | ||
6455104 | 98034 | 5 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 172 | 2 | 1 | 2 | 1.7 | C(=C/c1ccccc1)\C1=NCCN1 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL275970 | 98034 | 5 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 172 | 2 | 1 | 2 | 1.7 | C(=C/c1ccccc1)\C1=NCCN1 | 10.1021/acs.jmedchem.9b02080 | ||
15853467 | 206393 | 0 | None | -141 | 6 | Human | 6.3 | pKi | = | 6.3 | 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 | 206393 | 0 | None | -141 | 6 | Human | 6.3 | pKi | = | 6.3 | 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 | ||
44574134 | 177929 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL466634 | 177929 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
44387798 | 165720 | 0 | None | -4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 458 | 7 | 0 | 5 | 3.9 | CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL426959 | 165720 | 0 | None | -4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 458 | 7 | 0 | 5 | 3.9 | CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
11108001 | 10771 | 2 | None | -4 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117248 | 10771 | 2 | None | -4 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540542 | 10771 | 2 | None | -4 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44352207 | 18668 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL128168 | 18668 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
44352207 | 18668 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL128168 | 18668 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
44352207 | 18668 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL128168 | 18668 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
44352207 | 18668 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL128168 | 18668 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
162674829 | 182692 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 11 | 5 | 11 | 1.2 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4796664 | 182692 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 11 | 5 | 11 | 1.2 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
164614469 | 184198 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 341 | 1 | 0 | 3 | 3.9 | C[Si](C)(C)C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
CHEMBL4851349 | 184198 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 341 | 1 | 0 | 3 | 3.9 | C[Si](C)(C)C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
3034396 | 101168 | 33 | None | -77 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.9b01465 | ||
CHEMBL299031 | 101168 | 33 | None | -77 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.9b01465 | ||
44269013 | 30128 | 1 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL13917 | 30128 | 1 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
45487962 | 195809 | 0 | None | 10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL569933 | 195809 | 0 | None | 10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
11776640 | 13435 | 0 | None | 2 | 3 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL1193824 | 13435 | 0 | None | 2 | 3 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL545293 | 13435 | 0 | None | 2 | 3 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
163198500 | 185816 | 2 | None | -3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 371 | 1 | 0 | 3 | 3.2 | O=[N+]([O-])C1=Cc2cc(I)ccc2OC1C(F)(F)F | 10.1016/j.bmcl.2021.128008 | ||
CHEMBL4875858 | 185816 | 2 | None | -3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 371 | 1 | 0 | 3 | 3.2 | O=[N+]([O-])C1=Cc2cc(I)ccc2OC1C(F)(F)F | 10.1016/j.bmcl.2021.128008 | ||
15407445 | 198594 | 2 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 192 | 1 | 1 | 3 | 1.6 | CC1Cc2ccc([N+](=O)[O-])cc2CN1 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL59719 | 198594 | 2 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 192 | 1 | 1 | 3 | 1.6 | CC1Cc2ccc([N+](=O)[O-])cc2CN1 | 10.1016/j.bmcl.2004.12.013 | ||
132060743 | 161686 | 0 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4163428 | 161686 | 0 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
57395732 | 70847 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956203 | 70847 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
70696790 | 75946 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 3 | 1 | 3 | 1.5 | CC1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL2058632 | 75946 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 3 | 1 | 3 | 1.5 | CC1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | ||
90644748 | 112238 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 4 | 4 | 2 | 3.6 | CCNc1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289520 | 112238 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 4 | 4 | 2 | 3.6 | CCNc1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304855 | 112238 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 4 | 4 | 2 | 3.6 | CCNc1ccc(NC(=N)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
155517797 | 169646 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 498 | 8 | 0 | 6 | 5.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4445396 | 169646 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 498 | 8 | 0 | 6 | 5.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
102 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00366a007 | ||
3659 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00366a007 | ||
8969 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00366a007 | ||
CHEMBL15245 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00366a007 | ||
DB01392 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00366a007 | ||
102 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00150a002 | ||
3659 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00150a002 | ||
8969 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00150a002 | ||
CHEMBL15245 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00150a002 | ||
DB01392 | 4064 | 44 | None | -47 | 49 | Bovine | 7.3 | pKi | = | 7.3 | 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/jm00150a002 | ||
191 | 399 | 92 | None | -41 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
201 | 399 | 92 | None | -41 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2170 | 399 | 92 | None | -41 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
CHEMBL1113 | 399 | 92 | None | -41 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
DB00543 | 399 | 92 | None | -41 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
13298530 | 98615 | 18 | None | 97 | 2 | Bovine | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 195 | 1 | 0 | 3 | 1.0 | CN1CCN(c2ncccc2F)CC1 | 10.1021/jm00366a007 | ||
CHEMBL280514 | 98615 | 18 | None | 97 | 2 | Bovine | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 195 | 1 | 0 | 3 | 1.0 | CN1CCN(c2ncccc2F)CC1 | 10.1021/jm00366a007 | ||
44215744 | 205709 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL94129 | 205709 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
521 | 1377 | 64 | None | -2 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
5311068 | 1377 | 64 | None | -2 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
835 | 1377 | 64 | None | -2 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
CHEMBL778 | 1377 | 64 | None | -2 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
DB00633 | 1377 | 64 | None | -2 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm000128r | ||
42267840 | 15428 | 2 | None | 4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 2.9 | COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL1221499 | 15428 | 2 | None | 4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 2.9 | COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
44330857 | 4328 | 0 | None | -5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL101361 | 4328 | 0 | None | -5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
294234 | 102420 | 3 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL305928 | 102420 | 3 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
31101 | 720 | 39 | None | -12 | 35 | Human | 8.3 | pKi | = | 8.3 | 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 | 720 | 39 | None | -12 | 35 | Human | 8.3 | pKi | = | 8.3 | 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 | 720 | 39 | None | -12 | 35 | Human | 8.3 | pKi | = | 8.3 | 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 | 720 | 39 | None | -12 | 35 | Human | 8.3 | pKi | = | 8.3 | 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 | 720 | 39 | None | -12 | 35 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
13123525 | 188609 | 0 | None | - | 1 | Bovine | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 265 | 4 | 1 | 3 | 3.1 | Cc1ccc(N(CC2=NCCN2)c2ccccc2)cc1 | 10.1021/jm00366a022 | ||
CHEMBL51131 | 188609 | 0 | None | - | 1 | Bovine | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 265 | 4 | 1 | 3 | 3.1 | Cc1ccc(N(CC2=NCCN2)c2ccccc2)cc1 | 10.1021/jm00366a022 | ||
44330598 | 205904 | 0 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL95218 | 205904 | 0 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
10220053 | 205193 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90997 | 205193 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1016/s0960-894x(03)00525-0 | ||
10220053 | 205193 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1021/jm049619s | ||
CHEMBL90997 | 205193 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1021/jm049619s | ||
1343 | 1858 | 55 | None | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
3519 | 1858 | 55 | None | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
522 | 1858 | 55 | None | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
CHEMBL862 | 1858 | 55 | None | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
DB01018 | 1858 | 55 | None | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
100 | 3745 | 52 | None | -33 | 55 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3745 | 52 | None | -33 | 55 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3745 | 52 | None | -33 | 55 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3745 | 52 | None | -33 | 55 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3745 | 52 | None | -33 | 55 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
73291731 | 92059 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2431282 | 92059 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
117590588 | 96077 | 34 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1447 | 13 | 19 | 25 | 0.1 | CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O | 10.1021/jm001040g | ||
14969 | 96077 | 34 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1447 | 13 | 19 | 25 | 0.1 | CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O | 10.1021/jm001040g | ||
CHEMBL262777 | 96077 | 34 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1447 | 13 | 19 | 25 | 0.1 | CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O | 10.1021/jm001040g | ||
24906199 | 187082 | 12 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495096 | 187082 | 12 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
45487955 | 196633 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL576078 | 196633 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
2771431 | 187698 | 47 | None | 1 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.8 | Clc1cnc(N2CCNCC2)c(Cl)c1 | 10.1021/jm00366a007 | ||
CHEMBL50016 | 187698 | 47 | None | 1 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.8 | Clc1cnc(N2CCNCC2)c(Cl)c1 | 10.1021/jm00366a007 | ||
9923679 | 81350 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1021/jm060262x | ||
CHEMBL216399 | 81350 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1021/jm060262x | ||
162651072 | 179600 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 527 | 12 | 5 | 11 | 1.6 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4749263 | 179600 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 527 | 12 | 5 | 11 | 1.6 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
137641762 | 157554 | 0 | None | -15 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 476 | 5 | 4 | 10 | 1.1 | CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.7b00141 | ||
CHEMBL4086593 | 157554 | 0 | None | -15 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 476 | 5 | 4 | 10 | 1.1 | CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.7b00141 | ||
137643541 | 157885 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 448 | 3 | 4 | 10 | 0.3 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.7b00141 | ||
CHEMBL4090355 | 157885 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 448 | 3 | 4 | 10 | 0.3 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.7b00141 | ||
3158 | 55974 | 21 | None | -3467 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 55974 | 21 | None | -3467 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
10651080 | 105462 | 0 | None | -57 | 6 | Human | 6.3 | pKi | = | 6.3 | 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 | 105462 | 0 | None | -57 | 6 | Human | 6.3 | pKi | = | 6.3 | 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 | ||
57398332 | 70903 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc(C2COC(C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL1956900 | 70903 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc(C2COC(C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
10916464 | 202452 | 0 | None | -10 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70563 | 202452 | 0 | None | -10 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44579184 | 190359 | 4 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL518592 | 190359 | 4 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
132060776 | 161852 | 0 | None | -1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4165863 | 161852 | 0 | None | -1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
11820657 | 13333 | 1 | None | 6 | 2 | Bovine | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc(N3CCNCC3)c2n1 | 10.1021/jm00099a012 | ||
CHEMBL1193017 | 13333 | 1 | None | 6 | 2 | Bovine | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc(N3CCNCC3)c2n1 | 10.1021/jm00099a012 | ||
CHEMBL544354 | 13333 | 1 | None | 6 | 2 | Bovine | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc(N3CCNCC3)c2n1 | 10.1021/jm00099a012 | ||
10036255 | 21159 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 1.6 | COc1cccc2c1CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
CHEMBL131417 | 21159 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 1.6 | COc1cccc2c1CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
10036256 | 23577 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 1.6 | COc1ccc2c(c1)CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
CHEMBL133579 | 23577 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 1.6 | COc1ccc2c(c1)CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
11277479 | 84326 | 0 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
CHEMBL222973 | 84326 | 0 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
10214826 | 4412 | 15 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 289 | 2 | 2 | 4 | 2.9 | Brc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | ||
CHEMBL1019 | 4412 | 15 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 289 | 2 | 2 | 4 | 2.9 | Brc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | ||
130442572 | 171342 | 0 | None | -109 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4469848 | 171342 | 0 | None | -109 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
90644706 | 112246 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 269 | 3 | 3 | 2 | 3.3 | N=C(NCc1ccco1)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289531 | 112246 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 269 | 3 | 3 | 2 | 3.3 | N=C(NCc1ccco1)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304994 | 112246 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 269 | 3 | 3 | 2 | 3.3 | N=C(NCc1ccco1)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
4735 | 193445 | 92 | None | -9 | 10 | Human | 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 | 193445 | 92 | None | -9 | 10 | Human | 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 | 193445 | 92 | None | -9 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
3584 | 3718 | 60 | None | -251 | 14 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
5401 | 3718 | 60 | None | -251 | 14 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
7302 | 3718 | 60 | None | -251 | 14 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
CHEMBL611 | 3718 | 60 | None | -251 | 14 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
DB01162 | 3718 | 60 | None | -251 | 14 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
10101373 | 12982 | 0 | None | 19 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL1190317 | 12982 | 0 | None | 19 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
CHEMBL540594 | 12982 | 0 | None | 19 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 | 10.1016/s0960-894x(00)00068-8 | ||
24882007 | 12367 | 1 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL1186220 | 12367 | 1 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | ||
49836301 | 18380 | 1 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276140 | 18380 | 1 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
49836301 | 18380 | 1 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276140 | 18380 | 1 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
49836301 | 18380 | 1 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1276140 | 18380 | 1 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
16785637 | 180995 | 77 | None | 11 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 206 | 2 | 2 | 4 | -0.4 | NC(=O)c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL47688 | 180995 | 77 | None | 11 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 206 | 2 | 2 | 4 | -0.4 | NC(=O)c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
162664704 | 181629 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 471 | 8 | 5 | 11 | 0.2 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2CNCc3ccccc32)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4783068 | 181629 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 471 | 8 | 5 | 11 | 0.2 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2CNCc3ccccc32)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
73347825 | 92108 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 2.9 | COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432046 | 92108 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 2.9 | COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
145973771 | 164167 | 0 | None | -6 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
CHEMBL4217398 | 164167 | 0 | None | -6 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
448537 | 159703 | 86 | None | -33 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
CHEMBL411 | 159703 | 86 | None | -33 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
155521287 | 170011 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 478 | 7 | 0 | 6 | 4.8 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4450506 | 170011 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 478 | 7 | 0 | 6 | 4.8 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
487 | 3577 | 17 | None | -1513 | 12 | Human | 6.3 | pKi | = | 6.3 | 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 | 3577 | 17 | None | -1513 | 12 | Human | 6.3 | pKi | = | 6.3 | 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 | 3577 | 17 | None | -1513 | 12 | Human | 6.3 | pKi | = | 6.3 | 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 | 3577 | 17 | None | -1513 | 12 | Human | 6.3 | pKi | = | 6.3 | 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 | ||
10059780 | 12850 | 0 | None | 6 | 3 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL1189347 | 12850 | 0 | None | 6 | 3 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
CHEMBL538537 | 12850 | 0 | None | 6 | 3 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
289 | 240 | 6 | None | -47 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
9948320 | 240 | 6 | None | -47 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
CHEMBL1242950 | 240 | 6 | None | -47 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
2801 | 161325 | 56 | None | -14 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL1200710 | 161325 | 56 | None | -14 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL415 | 161325 | 56 | None | -14 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
162643475 | 181161 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 283 | 1 | 0 | 2 | 4.3 | C=C1CCN2Cc3ccc(OC)cc3[C@H]3CCCC[C@]32C1 | 10.1021/acs.jmedchem.0c01192 | ||
CHEMBL4777306 | 181161 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 283 | 1 | 0 | 2 | 4.3 | C=C1CCN2Cc3ccc(OC)cc3[C@H]3CCCC[C@]32C1 | 10.1021/acs.jmedchem.0c01192 | ||
15730 | 70774 | 73 | None | -2 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL195437 | 70774 | 73 | None | -2 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
155521287 | 170011 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 7 | 0 | 6 | 4.8 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4450506 | 170011 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 7 | 0 | 6 | 4.8 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
57394788 | 70906 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc([C@H]2COC[C@@H](C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL1956903 | 70906 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc([C@H]2COC[C@@H](C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
10092819 | 16594 | 0 | None | -51 | 12 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 407 | 8 | 1 | 5 | 3.8 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 | 10.1021/jm0211220 | ||
CHEMBL124444 | 16594 | 0 | None | -51 | 12 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 407 | 8 | 1 | 5 | 3.8 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 | 10.1021/jm0211220 | ||
44424855 | 85029 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL226636 | 85029 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
518 | 3555 | 1 | None | -3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
9839317 | 3555 | 1 | None | -3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
CHEMBL123138 | 3555 | 1 | None | -3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
49781005 | 17032 | 0 | None | 3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256503 | 17032 | 0 | None | 3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
6075 | 149575 | 36 | None | -11 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
CHEMBL395110 | 149575 | 36 | None | -11 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
155548049 | 173125 | 0 | None | -3 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 1 | 2 | 3 | 3.3 | O=C1/C(=C/c2cccc(O)c2)CCc2c(O)cccc21 | 10.1016/j.ejmech.2021.113964 | ||
CHEMBL4535634 | 173125 | 0 | None | -3 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 1 | 2 | 3 | 3.3 | O=C1/C(=C/c2cccc(O)c2)CCc2c(O)cccc21 | 10.1016/j.ejmech.2021.113964 | ||
135559170 | 101590 | 0 | None | -851 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1 | 10.1021/jm970159v | ||
CHEMBL302021 | 101590 | 0 | None | -851 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1 | 10.1021/jm970159v | ||
3584 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
5401 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
7302 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
CHEMBL611 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
DB01162 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
9813756 | 8928 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL109848 | 8928 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
13123534 | 188863 | 1 | None | - | 1 | Bovine | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/jm00366a022 | ||
CHEMBL51358 | 188863 | 1 | None | - | 1 | Bovine | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/jm00366a022 | ||
2142 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | ||
3584 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
5401 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
7302 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
CHEMBL611 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
DB01162 | 3718 | 60 | None | -251 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
12613159 | 186743 | 7 | None | -16 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL493054 | 186743 | 7 | None | -16 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
11465618 | 101926 | 18 | None | -2089 | 19 | Human | 6.3 | pKi | = | 6.3 | 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 | 101926 | 18 | None | -2089 | 19 | Human | 6.3 | pKi | = | 6.3 | 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 | 101926 | 18 | None | -2089 | 19 | Human | 6.3 | pKi | = | 6.3 | 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 | ||
9816461 | 10619 | 6 | None | -9 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117094 | 10619 | 6 | None | -9 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL544290 | 10619 | 6 | None | -9 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
24906198 | 187081 | 3 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL495095 | 187081 | 3 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
57402717 | 70843 | 2 | None | 14 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956199 | 70843 | 2 | None | 14 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
24906198 | 187081 | 3 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495095 | 187081 | 3 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
45487145 | 195982 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL570973 | 195982 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
24906198 | 187081 | 3 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL495095 | 187081 | 3 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
24906198 | 187081 | 3 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL495095 | 187081 | 3 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
44329027 | 4104 | 0 | None | -29 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | 4104 | 0 | None | -29 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
11097789 | 102524 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL306792 | 102524 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
2765 | 930 | 16 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
515 | 930 | 16 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
CHEMBL13852 | 930 | 16 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
DB09202 | 930 | 16 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
2765 | 930 | 16 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
515 | 930 | 16 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
CHEMBL13852 | 930 | 16 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
DB09202 | 930 | 16 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
16090621 | 141043 | 0 | None | -16 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1021/jm060262x | ||
CHEMBL384925 | 141043 | 0 | None | -16 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1021/jm060262x | ||
1960 | 2815 | 64 | None | -35 | 26 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
439260 | 2815 | 64 | None | -35 | 26 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
505 | 2815 | 64 | None | -35 | 26 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
CHEMBL1437 | 2815 | 64 | None | -35 | 26 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
DB00368 | 2815 | 64 | None | -35 | 26 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
9906978 | 42466 | 1 | None | -165 | 12 | Human | 5.2 | pKi | = | 5.2 | 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 | 42466 | 1 | None | -165 | 12 | Human | 5.2 | pKi | = | 5.2 | 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 | ||
6726 | 1254 | 46 | None | -10 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
7151 | 1254 | 46 | None | -10 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
749 | 1254 | 46 | None | -10 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL648 | 1254 | 46 | None | -10 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB01176 | 1254 | 46 | None | -10 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
150 | 2473 | 18 | None | -45 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
1764 | 2473 | 18 | None | -45 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
8226 | 2473 | 18 | None | -45 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
CHEMBL1201356 | 2473 | 18 | None | -45 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
DB00353 | 2473 | 18 | None | -45 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
9859437 | 167459 | 0 | None | 38 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
CHEMBL432155 | 167459 | 0 | None | 38 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
49864360 | 15451 | 0 | None | 15 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 445 | 10 | 1 | 4 | 5.0 | COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL1221593 | 15451 | 0 | None | 15 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 445 | 10 | 1 | 4 | 5.0 | COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
11653915 | 123494 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL362954 | 123494 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
1209 | 1628 | 69 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1021/jm001040g | ||
203 | 1628 | 69 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1021/jm001040g | ||
3386 | 1628 | 69 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1021/jm001040g | ||
CHEMBL41 | 1628 | 69 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1021/jm001040g | ||
DB00472 | 1628 | 69 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1021/jm001040g | ||
131829 | 203020 | 11 | None | 7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL74283 | 203020 | 11 | None | 7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
135477797 | 78522 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112971 | 78522 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
395 | 714 | 98 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
520 | 714 | 98 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
10382537 | 202465 | 11 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL70676 | 202465 | 11 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
98358 | 118981 | 8 | None | -1 | 2 | Bovine | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 0 | 1 | 1 | 3.3 | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
CHEMBL345349 | 118981 | 8 | None | -1 | 2 | Bovine | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 0 | 1 | 1 | 3.3 | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
98358 | 118981 | 8 | None | -1 | 2 | Bovine | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 0 | 1 | 1 | 3.3 | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
CHEMBL345349 | 118981 | 8 | None | -1 | 2 | Bovine | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 0 | 1 | 1 | 3.3 | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
11361608 | 84321 | 1 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL222928 | 84321 | 1 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
11361608 | 84321 | 1 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222928 | 84321 | 1 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
11361608 | 84321 | 1 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL222928 | 84321 | 1 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
13141186 | 130169 | 0 | None | -7 | 2 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 312 | 0 | 0 | 2 | 4.2 | CN1CCC(=C2c3cc(Cl)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL368357 | 130169 | 0 | None | -7 | 2 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 312 | 0 | 0 | 2 | 4.2 | CN1CCC(=C2c3cc(Cl)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
9851486 | 204972 | 0 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | 204972 | 0 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
155525779 | 170475 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 494 | 7 | 0 | 6 | 5.3 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4456882 | 170475 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 494 | 7 | 0 | 6 | 5.3 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
11771731 | 107760 | 2 | None | -16 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL319706 | 107760 | 2 | None | -16 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
134 | 2478 | 19 | None | -74 | 67 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
1775 | 2478 | 19 | None | -74 | 67 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
9681 | 2478 | 19 | None | -74 | 67 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
CHEMBL1065 | 2478 | 19 | None | -74 | 67 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
DB00247 | 2478 | 19 | None | -74 | 67 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
489 | 145 | 22 | None | -1778 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
5640 | 145 | 22 | None | -1778 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
CHEMBL420060 | 145 | 22 | None | -1778 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
10082625 | 13681 | 0 | None | -4 | 3 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
CHEMBL1195526 | 13681 | 0 | None | -4 | 3 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
CHEMBL554785 | 13681 | 0 | None | -4 | 3 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
2750 | 202363 | 69 | None | -3 | 12 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
CHEMBL7002 | 202363 | 69 | None | -3 | 12 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
2351 | 3234 | 60 | None | -9 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
2820 | 3234 | 60 | None | -9 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
5035 | 3234 | 60 | None | -9 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
CHEMBL81 | 3234 | 60 | None | -9 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
DB00481 | 3234 | 60 | None | -9 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
129211 | 3692 | 75 | None | -120 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
2562 | 3692 | 75 | None | -120 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
488 | 3692 | 75 | None | -120 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
CHEMBL836 | 3692 | 75 | None | -120 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
DB00706 | 3692 | 75 | None | -120 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
2274 | 3124 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
4917 | 3124 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
7279 | 3124 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL728 | 3124 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
DB00433 | 3124 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
10934575 | 202781 | 0 | None | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72441 | 202781 | 0 | None | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
10823140 | 119860 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | C1=NC[C@H](C[C@]23CCc4ccccc4C2C3)N1 | 10.1021/jm001040g | ||
136078488 | 119860 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | C1=NC[C@H](C[C@]23CCc4ccccc4C2C3)N1 | 10.1021/jm001040g | ||
CHEMBL353212 | 119860 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | C1=NC[C@H](C[C@]23CCc4ccccc4C2C3)N1 | 10.1021/jm001040g | ||
75306277 | 108767 | 0 | None | -31 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
CHEMBL3217984 | 108767 | 0 | None | -31 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
155550341 | 174531 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 458 | 8 | 0 | 6 | 4.2 | CCOP(=O)(OCC)C1(Cc2ccc(F)cc2)N=CC2C(=O)N(c3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4568994 | 174531 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 458 | 8 | 0 | 6 | 4.2 | CCOP(=O)(OCC)C1(Cc2ccc(F)cc2)N=CC2C(=O)N(c3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
1042 | 1551 | 20 | None | -97 | 16 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 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 | nan | ||
148 | 1551 | 20 | None | -97 | 16 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 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 | nan | ||
443884 | 1551 | 20 | None | -97 | 16 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 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 | nan | ||
CHEMBL119443 | 1551 | 20 | None | -97 | 16 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 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 | nan | ||
DB01253 | 1551 | 20 | None | -97 | 16 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 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 | nan | ||
16090635 | 82103 | 0 | None | -5 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1021/jm060262x | ||
CHEMBL217768 | 82103 | 0 | None | -5 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1021/jm060262x | ||
10508332 | 105511 | 0 | None | -426 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | 105511 | 0 | None | -426 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
10626982 | 111007 | 0 | None | -11 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | 111007 | 0 | None | -11 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
1534 | 102566 | 51 | None | -6 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
9287 | 102566 | 51 | None | -6 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL30713 | 102566 | 51 | None | -6 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
155536080 | 171548 | 0 | None | -43 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.9 | CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4472703 | 171548 | 0 | None | -43 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.9 | CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
57394789 | 70907 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc([C@@H]2COC[C@@H](C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL1956904 | 70907 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc([C@@H]2COC[C@@H](C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
1534 | 102566 | 51 | None | -6 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
9287 | 102566 | 51 | None | -6 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL30713 | 102566 | 51 | None | -6 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
162677211 | 182978 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 516 | 9 | 5 | 13 | -0.0 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4800292 | 182978 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 516 | 9 | 5 | 13 | -0.0 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
487 | 3577 | 17 | None | -1513 | 12 | Human | 6.2 | pKi | = | 6.2 | 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 | 3577 | 17 | None | -1513 | 12 | Human | 6.2 | pKi | = | 6.2 | 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 | 3577 | 17 | None | -1513 | 12 | Human | 6.2 | pKi | = | 6.2 | 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 | 3577 | 17 | None | -1513 | 12 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
10793963 | 99211 | 0 | None | -69 | 6 | Human | 6.2 | pKi | = | 6.2 | 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/jm980077m | ||
CHEMBL284470 | 99211 | 0 | None | -69 | 6 | Human | 6.2 | pKi | = | 6.2 | 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/jm980077m | ||
71652196 | 87026 | 0 | None | -190 | 6 | Rat | 5.2 | pKi | = | 5.2 | 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 | 87026 | 0 | None | -190 | 6 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 368 | 4 | 1 | 5 | 3.6 | Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 | 10.1016/j.ejmech.2012.08.011 | ||
3652 | 45983 | 62 | None | -1 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
CHEMBL1535 | 45983 | 62 | None | -1 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
118717249 | 114627 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL3343700 | 114627 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | ||
11741010 | 82838 | 0 | None | -4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
CHEMBL218730 | 82838 | 0 | None | -4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
164609539 | 183817 | 0 | None | 2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 428 | 2 | 0 | 5 | 3.3 | O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
CHEMBL4845850 | 183817 | 0 | None | 2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 428 | 2 | 0 | 5 | 3.3 | O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
123920 | 99691 | 34 | None | -309 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 201 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1Cl)CNCC2 | 10.1016/j.bmcl.2004.12.013 | ||
CHEMBL287837 | 99691 | 34 | None | -309 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 201 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1Cl)CNCC2 | 10.1016/j.bmcl.2004.12.013 | ||
71459553 | 83282 | 5 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 7 | 0 | 4 | 5.3 | COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1 | 10.1016/j.bmc.2012.09.044 | ||
CHEMBL2205360 | 83282 | 5 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 7 | 0 | 4 | 5.3 | COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1 | 10.1016/j.bmc.2012.09.044 | ||
1960 | 2815 | 64 | None | -10 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
439260 | 2815 | 64 | None | -10 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
505 | 2815 | 64 | None | -10 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
CHEMBL1437 | 2815 | 64 | None | -10 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
DB00368 | 2815 | 64 | None | -10 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
44325044 | 205651 | 0 | None | -5 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL93801 | 205651 | 0 | None | -5 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44401164 | 69473 | 0 | None | -346 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL193639 | 69473 | 0 | None | -346 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
44579271 | 186511 | 0 | None | -32 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL491419 | 186511 | 0 | None | -32 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
14004035 | 119014 | 0 | None | -1 | 2 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 227 | 0 | 1 | 2 | 2.6 | c1cnc2[nH]c3c(c2c1)CCN1CCCCC31 | 10.1021/jm00398a025 | ||
CHEMBL345621 | 119014 | 0 | None | -1 | 2 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 227 | 0 | 1 | 2 | 2.6 | c1cnc2[nH]c3c(c2c1)CCN1CCCCC31 | 10.1021/jm00398a025 | ||
14004035 | 119014 | 0 | None | -1 | 2 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 227 | 0 | 1 | 2 | 2.6 | c1cnc2[nH]c3c(c2c1)CCN1CCCCC31 | 10.1021/jm00398a025 | ||
CHEMBL345621 | 119014 | 0 | None | -1 | 2 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 227 | 0 | 1 | 2 | 2.6 | c1cnc2[nH]c3c(c2c1)CCN1CCCCC31 | 10.1021/jm00398a025 | ||
24906160 | 168889 | 0 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL442815 | 168889 | 0 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
441082 | 1140 | 40 | None | -141 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
8981 | 1140 | 40 | None | -141 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
CHEMBL191703 | 1140 | 40 | None | -141 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
122442272 | 137820 | 0 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 137820 | 0 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 137820 | 0 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
240 | 931 | 39 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
2769 | 931 | 39 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
44279790 | 931 | 39 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
660 | 931 | 39 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL1729 | 931 | 39 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL560739 | 931 | 39 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
DB00604 | 931 | 39 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
196129 | 67456 | 12 | None | -85 | 15 | Human | 7.2 | pKi | = | 7.2 | 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 | 67456 | 12 | None | -85 | 15 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
26757 | 206239 | 29 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | nan | ||
CHEMBL972 | 206239 | 29 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | nan | ||
10818003 | 105940 | 0 | None | -12 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | 105940 | 0 | None | -12 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
10603951 | 204790 | 0 | None | -33 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | 204790 | 0 | None | -33 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
90644753 | 112271 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 231 | 3 | 3 | 1 | 2.9 | CCCNC(=N)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289537 | 112271 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 231 | 3 | 3 | 1 | 2.9 | CCCNC(=N)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3305462 | 112271 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 231 | 3 | 3 | 1 | 2.9 | CCCNC(=N)Nc1ccc2c(c1)CCCC2 | 10.1016/j.ejmech.2014.05.057 | ||
3073596 | 43996 | 24 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 184 | 1 | 1 | 2 | 2.8 | c1ccc2oc(-c3ncc[nH]3)cc2c1 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL151697 | 43996 | 24 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 184 | 1 | 1 | 2 | 2.8 | c1ccc2oc(-c3ncc[nH]3)cc2c1 | 10.1021/acs.jmedchem.9b02080 | ||
9816063 | 102600 | 0 | None | -4 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | ||
CHEMBL30739 | 102600 | 0 | None | -4 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | ||
9816063 | 102600 | 0 | None | 4 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | ||
CHEMBL30739 | 102600 | 0 | None | 4 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | ||
16090625 | 82018 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL217452 | 82018 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
130442480 | 174698 | 0 | None | -83 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4572614 | 174698 | 0 | None | -83 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
155556618 | 173905 | 0 | None | -6456 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 6 | 3 | 7 | 2.7 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4554295 | 173905 | 0 | None | -6456 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 6 | 3 | 7 | 2.7 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
4011 | 81996 | 43 | None | -35 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 81996 | 43 | None | -35 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
28417 | 39799 | 48 | None | -1 | 12 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
CHEMBL1479 | 39799 | 48 | None | -1 | 12 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
26987 | 936 | 29 | None | -158 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 936 | 29 | None | -158 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 936 | 29 | None | -158 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 936 | 29 | None | -158 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 936 | 29 | None | -158 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
16215415 | 186749 | 1 | None | 3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | ||
CHEMBL493091 | 186749 | 1 | None | 3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | ||
44330621 | 4336 | 0 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 483 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL101411 | 4336 | 0 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 483 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
90644738 | 112236 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 281 | 2 | 2 | 2 | 3.1 | c1coc(C2CN/C(=N/c3ccc4c(c3)CCCC4)N2)c1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289548 | 112236 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 281 | 2 | 2 | 2 | 3.1 | c1coc(C2CN/C(=N/c3ccc4c(c3)CCCC4)N2)c1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304843 | 112236 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 281 | 2 | 2 | 2 | 3.1 | c1coc(C2CN/C(=N/c3ccc4c(c3)CCCC4)N2)c1 | 10.1016/j.ejmech.2014.05.057 | ||
155526672 | 170643 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 528 | 7 | 0 | 6 | 6.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4459403 | 170643 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 528 | 7 | 0 | 6 | 6.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
155535203 | 171475 | 0 | None | -18 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 5 | 3 | 7 | 2.8 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4471712 | 171475 | 0 | None | -18 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 5 | 3 | 7 | 2.8 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
10198108 | 206464 | 2 | None | 7 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 200 | 0 | 1 | 2 | 1.9 | Cc1ccc2c(c1)CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
CHEMBL98471 | 206464 | 2 | None | 7 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 200 | 0 | 1 | 2 | 1.9 | Cc1ccc2c(c1)CC1(CC2)CN=CN1 | 10.1021/jm00020a021 | ||
12575 | 1957 | 28 | None | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
54459 | 1957 | 28 | None | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
CHEMBL10316 | 1957 | 28 | None | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
12575 | 1957 | 28 | None | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
54459 | 1957 | 28 | None | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL10316 | 1957 | 28 | None | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
12774559 | 189018 | 0 | None | - | 1 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 191 | 3 | 3 | 4 | 0.8 | Oc1cccc(NCC2=NCCN2)c1 | 10.1021/jm00366a022 | ||
CHEMBL51479 | 189018 | 0 | None | - | 1 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 191 | 3 | 3 | 4 | 0.8 | Oc1cccc(NCC2=NCCN2)c1 | 10.1021/jm00366a022 | ||
185076 | 186507 | 4 | None | 2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL49137 | 186507 | 4 | None | 2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
213041 | 16952 | 24 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | ||
CHEMBL1255582 | 16952 | 24 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | ||
102 | 4064 | 44 | None | -5 | 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/jm00019a001 | ||
3659 | 4064 | 44 | None | -5 | 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/jm00019a001 | ||
8969 | 4064 | 44 | None | -5 | 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/jm00019a001 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 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/jm00019a001 | ||
DB01392 | 4064 | 44 | None | -5 | 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/jm00019a001 | ||
155513073 | 169148 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 8 | 0 | 6 | 4.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(Cc3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4438158 | 169148 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 8 | 0 | 6 | 4.0 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(Cc3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
11412944 | 101039 | 65 | None | 223 | 2 | Bovine | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL298004 | 101039 | 65 | None | 223 | 2 | Bovine | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
135545454 | 78533 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 448 | 7 | 1 | 7 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112983 | 78533 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 448 | 7 | 1 | 7 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
13123533 | 193240 | 1 | None | - | 1 | Bovine | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 271 | 4 | 1 | 3 | 3.1 | Cc1ccc(N(CC2=NCCN2)C2CCCCC2)cc1 | 10.1021/jm00366a022 | ||
CHEMBL541208 | 193240 | 1 | None | - | 1 | Bovine | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 271 | 4 | 1 | 3 | 3.1 | Cc1ccc(N(CC2=NCCN2)C2CCCCC2)cc1 | 10.1021/jm00366a022 | ||
155544935 | 172845 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 0 | 6 | 4.6 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccccc3Cl)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4528557 | 172845 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 0 | 6 | 4.6 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccccc3Cl)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
162654541 | 180031 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 499 | 10 | 5 | 11 | 0.8 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
CHEMBL4754656 | 180031 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 499 | 10 | 5 | 11 | 0.8 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c01475 | ||
10045713 | 165552 | 0 | None | -309 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL425983 | 165552 | 0 | None | -309 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1021/jm060262x | ||
122186880 | 122465 | 0 | None | -7 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3608450 | 122465 | 0 | None | -7 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
44401106 | 123808 | 0 | None | -112 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL363581 | 123808 | 0 | None | -112 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
57345627 | 70838 | 0 | None | 8 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956194 | 70838 | 0 | None | 8 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
44269089 | 96557 | 0 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL266613 | 96557 | 0 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
16757182 | 152717 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL397753 | 152717 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
16757182 | 152717 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL397753 | 152717 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
11183468 | 109384 | 2 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL323402 | 109384 | 2 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
4567175 | 82064 | 5 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
CHEMBL217665 | 82064 | 5 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
24906201 | 186770 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
CHEMBL493272 | 186770 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
1016 | 3690 | 75 | None | -12 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3690 | 75 | None | -12 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3690 | 75 | None | -12 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3690 | 75 | None | -12 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3690 | 75 | None | -12 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3690 | 75 | None | -12 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
3157 | 1442 | 69 | None | -61 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
7170 | 1442 | 69 | None | -61 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
954 | 1442 | 69 | None | -61 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
CHEMBL707 | 1442 | 69 | None | -61 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
DB00590 | 1442 | 69 | None | -61 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
56964693 | 73714 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 0 | 1 | 5 | 2.8 | Clc1ccc2c(c1)N=C(N1CCNCC1)c1cccnc1O2 | 10.1021/jm2013419 | ||
CHEMBL2022269 | 73714 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 0 | 1 | 5 | 2.8 | Clc1ccc2c(c1)N=C(N1CCNCC1)c1cccnc1O2 | 10.1021/jm2013419 | ||
12841596 | 116957 | 19 | None | 3 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
CHEMBL2448004 | 116957 | 19 | None | 3 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
CHEMBL339883 | 116957 | 19 | None | 3 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
12909383 | 130181 | 1 | None | -5 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 278 | 0 | 0 | 2 | 3.6 | CN1CCC(=C2c3ccccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL368413 | 130181 | 1 | None | -5 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 278 | 0 | 0 | 2 | 3.6 | CN1CCC(=C2c3ccccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
44292470 | 101164 | 4 | None | 57 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 1 | 1 | 3 | 1.5 | Cc1ccnc(N2CCNCC2)c1Cl | 10.1021/jm00366a007 | ||
CHEMBL299007 | 101164 | 4 | None | 57 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 1 | 1 | 3 | 1.5 | Cc1ccnc(N2CCNCC2)c1Cl | 10.1021/jm00366a007 | ||
136044137 | 78527 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112976 | 78527 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
25130235 | 187004 | 1 | None | -2 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
CHEMBL494678 | 187004 | 1 | None | -2 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
15675860 | 202724 | 0 | None | 4 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72147 | 202724 | 0 | None | 4 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
23622576 | 172203 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL451229 | 172203 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
3823 | 49951 | 38 | None | -40 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
76973198 | 49951 | 38 | None | -40 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL157101 | 49951 | 38 | None | -40 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
1577 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
164512405 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
2537 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
5355 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
5501 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
643497 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
688272 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
958 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
960 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
CHEMBL196677 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
CHEMBL26 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
CHEMBL267044 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
DB00391 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
DB16021 | 3647 | 104 | None | -2 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | nan | ||
10674896 | 204918 | 0 | None | -416 | 6 | Human | 6.1 | pKi | = | 6.1 | 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 | 204918 | 0 | None | -416 | 6 | Human | 6.1 | pKi | = | 6.1 | 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 | ||
657255 | 197406 | 29 | None | -10 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
CHEMBL588119 | 197406 | 29 | None | -10 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
155567867 | 175459 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 502 | 8 | 0 | 6 | 5.7 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4590209 | 175459 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 502 | 8 | 0 | 6 | 5.7 | CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
10454026 | 17725 | 0 | None | -234 | 9 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.5 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0211220 | ||
CHEMBL125916 | 17725 | 0 | None | -234 | 9 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.5 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0211220 | ||
10895039 | 18334 | 0 | None | -154 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 8 | 1 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 | 10.1021/jm0211220 | ||
CHEMBL127400 | 18334 | 0 | None | -154 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 8 | 1 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 | 10.1021/jm0211220 | ||
CHEMBL129022 | 18334 | 0 | None | -154 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 8 | 1 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 | 10.1021/jm0211220 | ||
10655607 | 203047 | 5 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 199 | 2 | 3 | 3 | 2.0 | c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 | 10.1021/jm9605142 | ||
CHEMBL74544 | 203047 | 5 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 199 | 2 | 3 | 3 | 2.0 | c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 | 10.1021/jm9605142 | ||
10326069 | 39059 | 1 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | 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 | 39059 | 1 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | 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 | ||
53324553 | 56560 | 0 | None | -10 | 10 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL1643900 | 56560 | 0 | None | -10 | 10 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
53324553 | 56560 | 0 | None | -10 | 10 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
CHEMBL1643900 | 56560 | 0 | None | -10 | 10 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
1210 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
1213 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
2725 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
33036 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
4411 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
616 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
6976 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
716121 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
90475904 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1201353 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1554789 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL505 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB01114 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB13679 | 905 | 45 | None | -263 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
72947314 | 92058 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
CHEMBL2431281 | 92058 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
490 | 190 | 5 | None | -758 | 12 | Human | 7.1 | pKi | = | 7.1 | 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 | 190 | 5 | None | -758 | 12 | Human | 7.1 | pKi | = | 7.1 | 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 | 190 | 5 | None | -758 | 12 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
12909389 | 60050 | 0 | None | -64 | 2 | Bovine | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.7 | CN1CCC(=C2c3cc(C(=O)O)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
CHEMBL174649 | 60050 | 0 | None | -64 | 2 | Bovine | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.7 | CN1CCC(=C2c3cc(C(=O)O)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
16090598 | 82043 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL217568 | 82043 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
5467 | 204212 | 40 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | nan | ||
CHEMBL84158 | 204212 | 40 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | nan | ||
44288847 | 164757 | 0 | None | -5495 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL42335 | 164757 | 0 | None | -5495 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
5897 | 104732 | 71 | None | -7 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
CHEMBL311469 | 104732 | 71 | None | -7 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
44401164 | 69473 | 0 | None | -346 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL193639 | 69473 | 0 | None | -346 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
90644744 | 112244 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 205 | 3 | 2 | 2 | 1.3 | CCOc1ccc(N=C2NCCN2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289551 | 112244 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 205 | 3 | 2 | 2 | 1.3 | CCOc1ccc(N=C2NCCN2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304991 | 112244 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 205 | 3 | 2 | 2 | 1.3 | CCOc1ccc(N=C2NCCN2)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
16090623 | 82042 | 0 | None | -102 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
CHEMBL217567 | 82042 | 0 | None | -102 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
44415690 | 79727 | 0 | None | -363 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 2 | 1 | 5 | 5.1 | Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
CHEMBL213336 | 79727 | 0 | None | -363 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 2 | 1 | 5 | 5.1 | Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
10923927 | 202477 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
CHEMBL70740 | 202477 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
6604789 | 100578 | 3 | None | -31 | 10 | Human | 5.1 | pKi | = | 5.1 | 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 | ||
CHEMBL294649 | 100578 | 3 | None | -31 | 10 | Human | 5.1 | pKi | = | 5.1 | 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 | ||
57399991 | 70904 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc([C@H]2CO[C@H](C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL1956901 | 70904 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 232 | 2 | 1 | 4 | 1.1 | c1ccc([C@H]2CO[C@H](C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
12575 | 1957 | 28 | None | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
54459 | 1957 | 28 | None | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL10316 | 1957 | 28 | None | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
134987 | 186099 | 43 | None | 309 | 2 | Bovine | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 181 | 1 | 1 | 3 | 0.6 | Fc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL48833 | 186099 | 43 | None | 309 | 2 | Bovine | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 181 | 1 | 1 | 3 | 0.6 | Fc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
441975 | 16274 | 49 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
CHEMBL123325 | 16274 | 49 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
49864359 | 15450 | 0 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 10 | 1 | 5 | 4.1 | COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
CHEMBL1221592 | 15450 | 0 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 10 | 1 | 5 | 4.1 | COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2010.07.002 | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
10775000 | 106910 | 2 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL317912 | 106910 | 2 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
44324765 | 111080 | 0 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL328114 | 111080 | 0 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
9846548 | 205594 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL93489 | 205594 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
1212 | 1632 | 45 | None | -165 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1632 | 45 | None | -165 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1632 | 45 | None | -165 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1632 | 45 | None | -165 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1632 | 45 | None | -165 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
9960497 | 100010 | 0 | None | -2454 | 6 | Human | 6.1 | pKi | = | 6.1 | 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 | 100010 | 0 | None | -2454 | 6 | Human | 6.1 | pKi | = | 6.1 | 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 | ||
16090628 | 141255 | 0 | None | -933 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1021/jm060262x | ||
CHEMBL386169 | 141255 | 0 | None | -933 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1021/jm060262x | ||
44574075 | 172008 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL448802 | 172008 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
4601 | 205020 | 29 | None | -2 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL1201023 | 205020 | 29 | None | -2 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL900 | 205020 | 29 | None | -2 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
10466448 | 112384 | 2 | None | 34 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 231 | 1 | 0 | 5 | 0.8 | Cc1cnc(N2CCN(C)CC2)c2nccn12 | 10.1021/jm00099a012 | ||
CHEMBL330994 | 112384 | 2 | None | 34 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 231 | 1 | 0 | 5 | 0.8 | Cc1cnc(N2CCN(C)CC2)c2nccn12 | 10.1021/jm00099a012 | ||
44579229 | 189024 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL514837 | 189024 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
11000184 | 12941 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1190038 | 12941 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540035 | 12941 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
10859076 | 13570 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1194763 | 13570 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL553276 | 13570 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
127036932 | 136824 | 0 | None | -2 | 22 | Human | 7.1 | pKi | = | 7.1 | 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 | 136824 | 0 | None | -2 | 22 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
16757089 | 91859 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242693 | 91859 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
16757089 | 91859 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL242693 | 91859 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
11448533 | 84267 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 267 | 4 | 0 | 3 | 3.6 | CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 | 10.1021/jm0408215 | ||
CHEMBL222591 | 84267 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 267 | 4 | 0 | 3 | 3.6 | CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 | 10.1021/jm0408215 | ||
11473729 | 84268 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 265 | 4 | 0 | 2 | 4.4 | CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 | 10.1021/jm0408215 | ||
CHEMBL222593 | 84268 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 265 | 4 | 0 | 2 | 4.4 | CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 | 10.1021/jm0408215 | ||
136680386 | 205969 | 0 | None | -169 | 6 | Human | 6.1 | pKi | = | 6.1 | 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 | 205969 | 0 | None | -169 | 6 | Human | 6.1 | pKi | = | 6.1 | 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 | 205969 | 0 | None | -169 | 6 | Human | 6.1 | pKi | = | 6.1 | 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 | ||
491 | 191 | 4 | None | -1023 | 12 | Human | 7.1 | pKi | = | 7.1 | 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 | 191 | 4 | None | -1023 | 12 | Human | 7.1 | pKi | = | 7.1 | 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 | 191 | 4 | None | -1023 | 12 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
1530 | 2151 | 44 | None | -70 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2151 | 44 | None | -70 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2151 | 44 | None | -70 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2151 | 44 | None | -70 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2151 | 44 | None | -70 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3038495 | 700 | 30 | None | -56 | 19 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm0211220 | ||
7625 | 700 | 30 | None | -56 | 19 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm0211220 | ||
CHEMBL25236 | 700 | 30 | None | -56 | 19 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm0211220 | ||
57345629 | 70841 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956197 | 70841 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
127036953 | 136990 | 0 | None | -8 | 22 | Human | 7.1 | pKi | = | 7.1 | 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 | 136990 | 0 | None | -8 | 22 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
44269140 | 33334 | 0 | None | 4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL14208 | 33334 | 0 | None | 4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
57345629 | 70841 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956197 | 70841 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
9817231 | 157691 | 17 | None | 1 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
CHEMBL4088272 | 157691 | 17 | None | 1 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
90644755 | 112231 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 220 | 5 | 4 | 2 | 2.5 | CCCNC(=N)Nc1ccc(NCC)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3289538 | 112231 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 220 | 5 | 4 | 2 | 2.5 | CCCNC(=N)Nc1ccc(NCC)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
CHEMBL3304668 | 112231 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 220 | 5 | 4 | 2 | 2.5 | CCCNC(=N)Nc1ccc(NCC)cc1 | 10.1016/j.ejmech.2014.05.057 | ||
10044968 | 96098 | 0 | None | -54 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
CHEMBL262901 | 96098 | 0 | None | -54 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
56852956 | 111551 | 1 | None | -218 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
CHEMBL3289656 | 111551 | 1 | None | -218 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
9904606 | 9296 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 2.3 | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O | 10.1021/jm030551a | ||
CHEMBL111463 | 9296 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 2.3 | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O | 10.1021/jm030551a | ||
16090594 | 81713 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
CHEMBL216674 | 81713 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
56852956 | 111551 | 1 | None | -218 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
CHEMBL3289656 | 111551 | 1 | None | -218 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
516 | 941 | 53 | None | -1 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
704 | 941 | 53 | None | -1 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
2803 | 941 | 53 | None | 1 | 19 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
516 | 941 | 53 | None | 1 | 19 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
704 | 941 | 53 | None | 1 | 19 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
CHEMBL134 | 941 | 53 | None | 1 | 19 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
DB00575 | 941 | 53 | None | 1 | 19 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm000128r | ||
237 | 203157 | 43 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
11293787 | 147681 | 0 | None | -77 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL393597 | 147681 | 0 | None | -77 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
155552185 | 173489 | 0 | None | -1548 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
CHEMBL4544086 | 173489 | 0 | None | -1548 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
44582676 | 189187 | 0 | None | -6 | 17 | Human | 6.1 | pKi | = | 6.1 | 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 | 189187 | 0 | None | -6 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
10398419 | 116141 | 0 | None | 13 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 1.6 | COc1ccc2c(c1)CCC1(CN=CN1)C2 | 10.1021/jm00020a021 | ||
CHEMBL336970 | 116141 | 0 | None | 13 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 1.6 | COc1ccc2c(c1)CCC1(CN=CN1)C2 | 10.1021/jm00020a021 | ||
136019934 | 143997 | 0 | None | -7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL390718 | 143997 | 0 | None | -7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
44350063 | 117445 | 0 | None | - | 1 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 349 | 4 | 3 | 7 | -0.0 | C1=CN2CCN=C2C(N2CCNCC2)=N1.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | ||
CHEMBL340358 | 117445 | 0 | None | - | 1 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 349 | 4 | 3 | 7 | -0.0 | C1=CN2CCN=C2C(N2CCNCC2)=N1.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | ||
11058166 | 202999 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74114 | 202999 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
9931977 | 62711 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
CHEMBL1788223 | 62711 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
132060763 | 162311 | 0 | None | -3 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 405 | 5 | 0 | 4 | 4.1 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4173095 | 162311 | 0 | None | -3 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 405 | 5 | 0 | 4 | 4.1 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
44415593 | 79837 | 0 | None | -891 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 495 | 2 | 1 | 5 | 5.6 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
CHEMBL213834 | 79837 | 0 | None | -891 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 495 | 2 | 1 | 5 | 5.6 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
11732785 | 163168 | 0 | None | -102 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 432 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc43)C2=O)CC1 | 10.1021/jm0211220 | ||
CHEMBL420510 | 163168 | 0 | None | -102 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 432 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc43)C2=O)CC1 | 10.1021/jm0211220 | ||
10473701 | 82825 | 0 | None | -165 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1021/jm060262x | ||
CHEMBL218679 | 82825 | 0 | None | -165 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1021/jm060262x | ||
44424855 | 85029 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL226636 | 85029 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
44330609 | 162900 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL419894 | 162900 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
135405894 | 78520 | 0 | None | -5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 470 | 8 | 1 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112969 | 78520 | 0 | None | -5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 470 | 8 | 1 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
10028898 | 111164 | 0 | None | -11 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL328631 | 111164 | 0 | None | -11 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
123981 | 16282 | 20 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
CHEMBL123349 | 16282 | 20 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
CHEMBL536803 | 16282 | 20 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
9816048 | 186695 | 0 | None | 12 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 231 | 1 | 4 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1021/jm960359r | ||
CHEMBL49284 | 186695 | 0 | None | 12 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 231 | 1 | 4 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1021/jm960359r | ||
463 | 1378 | 17 | None | -67 | 13 | Human | 6.1 | pKi | = | 6.1 | 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/jm00010a001 | ||
6918097 | 1378 | 17 | None | -67 | 13 | Human | 6.1 | pKi | = | 6.1 | 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/jm00010a001 | ||
837 | 1378 | 17 | None | -67 | 13 | Human | 6.1 | pKi | = | 6.1 | 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/jm00010a001 | ||
CHEMBL2051956 | 1378 | 17 | None | -67 | 13 | Human | 6.1 | pKi | = | 6.1 | 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/jm00010a001 | ||
DB14068 | 1378 | 17 | None | -67 | 13 | Human | 6.1 | pKi | = | 6.1 | 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/jm00010a001 | ||
16090627 | 81155 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1021/jm060262x | ||
CHEMBL216197 | 81155 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1021/jm060262x | ||
2683 | 102415 | 24 | None | -12 | 16 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102415 | 24 | None | -12 | 16 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102415 | 24 | None | -12 | 16 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
10333157 | 150706 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL396013 | 150706 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
11140033 | 20483 | 0 | None | 7 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL130884 | 20483 | 0 | None | 7 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
10333157 | 150706 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL396013 | 150706 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
16090595 | 140869 | 0 | None | -109 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
CHEMBL383978 | 140869 | 0 | None | -109 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
10651654 | 110995 | 0 | None | -489 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | 110995 | 0 | None | -489 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
10084076 | 97467 | 0 | None | -5 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 262 | 0 | 1 | 2 | 2.8 | CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N | 10.1021/jm030030n | ||
CHEMBL27251 | 97467 | 0 | None | -5 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 262 | 0 | 1 | 2 | 2.8 | CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N | 10.1021/jm030030n | ||
44324737 | 205508 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL92860 | 205508 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44568614 | 187040 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.8 | c1ccc(OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
CHEMBL494885 | 187040 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.8 | c1ccc(OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
2337 | 3205 | 72 | None | -50 | 62 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
50 | 3205 | 72 | None | -50 | 62 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5002 | 3205 | 72 | None | -50 | 62 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
CHEMBL716 | 3205 | 72 | None | -50 | 62 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
DB01224 | 3205 | 72 | None | -50 | 62 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5280805 | 84981 | 76 | None | -28 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1021/np1000329 | ||
CHEMBL226335 | 84981 | 76 | None | -28 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1021/np1000329 | ||
25110718 | 192706 | 0 | None | -72 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL524153 | 192706 | 0 | None | -72 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
10527469 | 155724 | 1 | None | -204 | 16 | Human | 7.0 | pKi | = | 7.0 | 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 | 155724 | 1 | None | -204 | 16 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
164609730 | 184516 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 398 | 2 | 1 | 5 | 3.5 | CC(C)(C)OC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
CHEMBL4856060 | 184516 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 398 | 2 | 1 | 5 | 3.5 | CC(C)(C)OC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
71463022 | 83284 | 4 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | ||
CHEMBL2205362 | 83284 | 4 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | ||
24841480 | 183317 | 0 | None | -47 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL481153 | 183317 | 0 | None | -47 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
10489502 | 4451 | 2 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 3.5 | Clc1cccc(Cl)c1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
CHEMBL1022 | 4451 | 2 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 3.5 | Clc1cccc(Cl)c1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
28918670 | 92055 | 2 | None | 4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2431279 | 92055 | 2 | None | 4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
10508132 | 106534 | 0 | None | -16 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | 106534 | 0 | None | -16 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
10507651 | 204781 | 0 | None | -107 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | 204781 | 0 | None | -107 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
9950711 | 108719 | 0 | None | -5 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL321644 | 108719 | 0 | None | -5 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
14004033 | 48967 | 5 | None | 2 | 2 | Bovine | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 177 | 0 | 1 | 2 | 1.5 | c1[nH]nc2c1CCN1CCCCC21 | 10.1021/jm00398a025 | ||
CHEMBL156283 | 48967 | 5 | None | 2 | 2 | Bovine | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 177 | 0 | 1 | 2 | 1.5 | c1[nH]nc2c1CCN1CCCCC21 | 10.1021/jm00398a025 | ||
78114671 | 173592 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 350 | 6 | 0 | 6 | 2.5 | CCOP(=O)(OCC)C1N=CC2C(=O)N(c3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
CHEMBL4546903 | 173592 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 350 | 6 | 0 | 6 | 2.5 | CCOP(=O)(OCC)C1N=CC2C(=O)N(c3ccccc3)C(=O)C21 | 10.1021/acs.jmedchem.9b02080 | ||
44328654 | 106701 | 0 | None | -251 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | 106701 | 0 | None | -251 | 6 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
21830793 | 91403 | 5 | None | -630 | 46 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
CHEMBL2413154 | 91403 | 5 | None | -630 | 46 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
139406787 | 176571 | 0 | None | 2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
CHEMBL4633982 | 176571 | 0 | None | 2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
10251036 | 81473 | 0 | None | -162 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
CHEMBL216464 | 81473 | 0 | None | -162 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
14004033 | 48967 | 5 | None | 2 | 2 | Bovine | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 177 | 0 | 1 | 2 | 1.5 | c1[nH]nc2c1CCN1CCCCC21 | 10.1021/jm00398a025 | ||
CHEMBL156283 | 48967 | 5 | None | 2 | 2 | Bovine | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 177 | 0 | 1 | 2 | 1.5 | c1[nH]nc2c1CCN1CCCCC21 | 10.1021/jm00398a025 | ||
16090632 | 141184 | 0 | None | -46 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1021/jm060262x | ||
CHEMBL385722 | 141184 | 0 | None | -46 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1021/jm060262x | ||
2777786 | 174405 | 77 | None | 29 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.5 | FC(F)(F)c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
CHEMBL45663 | 174405 | 77 | None | 29 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.5 | FC(F)(F)c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
57399145 | 70840 | 0 | None | 7 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956196 | 70840 | 0 | None | 7 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
49836307 | 18598 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1278085 | 18598 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
9879119 | 9355 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111771 | 9355 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
11747739 | 13124 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1191324 | 13124 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL542402 | 13124 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44324860 | 205765 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL94435 | 205765 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
16090633 | 80051 | 0 | None | -25 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
CHEMBL214661 | 80051 | 0 | None | -25 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
4209 | 3114 | 71 | None | -3235 | 33 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4893 | 3114 | 71 | None | -3235 | 33 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
503 | 3114 | 71 | None | -3235 | 33 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
5385 | 3114 | 71 | None | -3235 | 33 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL2 | 3114 | 71 | None | -3235 | 33 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
DB00457 | 3114 | 71 | None | -3235 | 33 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
44329026 | 206683 | 0 | None | -19 | 6 | Human | 7.0 | pKi | = | 7 | 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 | 206683 | 0 | None | -19 | 6 | Human | 7.0 | pKi | = | 7 | 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 | ||
2105 | 3005 | 34 | None | -58 | 33 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
47811 | 3005 | 34 | None | -58 | 33 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
48 | 3005 | 34 | None | -58 | 33 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
CHEMBL531 | 3005 | 34 | None | -58 | 33 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
DB01186 | 3005 | 34 | None | -58 | 33 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
44574078 | 178184 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL468711 | 178184 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
168274641 | 189841 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 266 | 1 | 2 | 3 | 3.3 | O=C1/C(=C/c2ccc(O)cc2)CCc2c(O)cccc21 | 10.1016/j.ejmech.2021.113964 | ||
CHEMBL5178192 | 189841 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 266 | 1 | 2 | 3 | 3.3 | O=C1/C(=C/c2ccc(O)cc2)CCc2c(O)cccc21 | 10.1016/j.ejmech.2021.113964 | ||
2477 | 734 | 54 | None | - | 28 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
36 | 734 | 54 | None | - | 28 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
437 | 734 | 54 | None | - | 28 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
CHEMBL49 | 734 | 54 | None | - | 28 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
DB00490 | 734 | 54 | None | - | 28 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
3689 | 102298 | 47 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | None | ||
CHEMBL1372983 | 102298 | 47 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | None | ||
CHEMBL305187 | 102298 | 47 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | None | ||
2803 | 941 | 53 | None | - | 19 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | None | - | 19 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | None | - | 19 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | None | - | 19 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | None | - | 19 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
3294 | 1975 | 106 | None | - | 44 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1975 | 106 | None | - | 44 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1975 | 106 | None | - | 44 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1975 | 106 | None | - | 44 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1975 | 106 | None | - | 44 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
1795 | 1561 | 58 | None | - | 1 | Human | 1.8 | pKd | = | 1.8 | Binding | Guide to Pharmacology | 299 | 4 | 3 | 5 | 0.4 | CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C | 1325028 | ||
4186 | 1561 | 58 | None | - | 1 | Human | 1.8 | pKd | = | 1.8 | Binding | Guide to Pharmacology | 299 | 4 | 3 | 5 | 0.4 | CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C | 1325028 | ||
CHEMBL517986 | 1561 | 58 | None | - | 1 | Human | 1.8 | pKd | = | 1.8 | Binding | Guide to Pharmacology | 299 | 4 | 3 | 5 | 0.4 | CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C | 1325028 | ||
1192 | 147 | 41 | None | -51286 | 16 | Human | 2.5 | pKd | None | 2.5 | Binding | Guide to Pharmacology | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | 1325028 | ||
1192 | 147 | 41 | None | -51286 | 16 | Human | 2.5 | pKd | None | 2.5 | Binding | Guide to Pharmacology | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | 9584219 | ||
1794 | 147 | 41 | None | -51286 | 16 | Human | 2.5 | pKd | None | 2.5 | Binding | Guide to Pharmacology | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | 1325028 | ||
1794 | 147 | 41 | None | -51286 | 16 | Human | 2.5 | pKd | None | 2.5 | Binding | Guide to Pharmacology | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | 9584219 | ||
CHEMBL501701 | 147 | 41 | None | -51286 | 16 | Human | 2.5 | pKd | None | 2.5 | Binding | Guide to Pharmacology | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | 1325028 | ||
CHEMBL501701 | 147 | 41 | None | -51286 | 16 | Human | 2.5 | pKd | None | 2.5 | Binding | Guide to Pharmacology | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | 9584219 | ||
108094 | 3368 | 22 | None | -1 | 4 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
108094 | 3368 | 22 | None | -1 | 4 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
526 | 3368 | 22 | None | -1 | 4 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
526 | 3368 | 22 | None | -1 | 4 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
528 | 3368 | 22 | None | -1 | 4 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
528 | 3368 | 22 | None | -1 | 4 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
CHEMBL10332 | 3368 | 22 | None | -1 | 4 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
CHEMBL10332 | 3368 | 22 | None | -1 | 4 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
136 | 3240 | 28 | None | -3 | 16 | Human | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
136 | 3240 | 28 | None | -3 | 16 | Human | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 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 | 8819505 | ||
223 | 3240 | 28 | None | -3 | 16 | Human | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
223 | 3240 | 28 | None | -3 | 16 | Human | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 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 | 8819505 | ||
643606 | 3240 | 28 | None | -3 | 16 | Human | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
643606 | 3240 | 28 | None | -3 | 16 | Human | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 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 | 8819505 | ||
CHEMBL10347 | 3240 | 28 | None | -3 | 16 | Human | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
CHEMBL10347 | 3240 | 28 | None | -3 | 16 | Human | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 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 | 8819505 | ||
1588 | 2294 | 24 | 3H-RX821002 | 2 | 43 | Human | 10.3 | pKi | = | 10.3 | 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 | 2294 | 24 | 3H-RX821002 | 2 | 43 | Human | 10.3 | pKi | = | 10.3 | 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 | 2294 | 24 | 3H-RX821002 | 2 | 43 | Human | 10.3 | pKi | = | 10.3 | 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 | 2294 | 24 | 3H-RX821002 | 2 | 43 | Human | 10.3 | pKi | = | 10.3 | 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 | 2294 | 24 | 3H-RX821002 | 2 | 43 | Human | 10.3 | pKi | = | 10.3 | 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 | ||
CHEMBL1196898 | 214259 | 0 | 3H-RAUWOLSCINE | 1 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 248 | 3 | 1 | 5 | 1.2 | CCOC1(COC2=CC=CC=C2O1)C3=NCCN3 | None | ||
2601 | 3721 | 30 | 3H-RX821002 | -1 | 21 | Human | 9.5 | pKi | = | 9.5 | 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 | 3721 | 30 | 3H-RX821002 | -1 | 21 | Human | 9.5 | pKi | = | 9.5 | 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 | 3721 | 30 | 3H-RX821002 | -1 | 21 | Human | 9.5 | pKi | = | 9.5 | 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 | 3721 | 30 | 3H-RX821002 | -1 | 21 | Human | 9.5 | pKi | = | 9.5 | 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 | 3721 | 30 | 3H-RX821002 | -1 | 21 | Human | 9.5 | pKi | = | 9.5 | 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 | ||
138107169 | 214173 | 0 | 3H-RAUWOLSCINE | -6 | 22 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 3H-RAUWOLSCINE | -6 | 22 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
12576 | 511 | 87 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
71310 | 511 | 87 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
CHEMBL353972 | 511 | 87 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
DB11481 | 511 | 87 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
108094 | 3368 | 22 | 35S-GTPGammaS | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
526 | 3368 | 22 | 35S-GTPGammaS | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
528 | 3368 | 22 | 35S-GTPGammaS | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
CHEMBL10332 | 3368 | 22 | 35S-GTPGammaS | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
None | 214258 | 0 | 3H-RAUWOLSCINE | -2 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 953 | 28 | 10 | 12 | 0.9 | CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)NC(CCCCN)C(=O)N)NC(=O)CC3(CCCCC3)S | None | ||
138107169 | 214173 | 0 | 3H-RX821002 | 1 | 22 | Pig | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 3H-RX821002 | 1 | 22 | Pig | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
None | 214257 | 0 | 3H-RAUWOLSCINE | -13 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 339 | 0 | 0 | 3 | 3.3 | CN1CCC2(CCN3CCC4=C(C3C2)OC5=CC=CC=C45)N(C1=O)C | None | ||
138107169 | 214173 | 0 | 3H-RAUWOLSCINE | -6 | 22 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 3H-RAUWOLSCINE | -6 | 22 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
102 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.3 | pKi | = | 9.3 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.3 | pKi | = | 9.3 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.3 | pKi | = | 9.3 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.3 | pKi | = | 9.3 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.3 | pKi | = | 9.3 | 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 | ||
108094 | 3368 | 22 | 3H-MK912 | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
108094 | 3368 | 22 | 35S-GTPGammaS | 1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
526 | 3368 | 22 | 3H-MK912 | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
526 | 3368 | 22 | 35S-GTPGammaS | 1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
528 | 3368 | 22 | 3H-MK912 | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
528 | 3368 | 22 | 35S-GTPGammaS | 1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
CHEMBL10332 | 3368 | 22 | 3H-MK912 | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
CHEMBL10332 | 3368 | 22 | 35S-GTPGammaS | 1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
102 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.2 | pKi | = | 9.2 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.2 | pKi | = | 9.2 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.2 | pKi | = | 9.2 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.2 | pKi | = | 9.2 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 9.2 | pKi | = | 9.2 | 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 | ||
164512323 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
124 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
None | 214179 | 0 | 3H-RAUWOLSCINE | -14 | 19 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
108094 | 3368 | 22 | 3H-RAUWOLSCINE | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
526 | 3368 | 22 | 3H-RAUWOLSCINE | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
528 | 3368 | 22 | 3H-RAUWOLSCINE | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
CHEMBL10332 | 3368 | 22 | 3H-RAUWOLSCINE | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
None | 214182 | 0 | 3H-RAUWOLSCINE | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 295 | 5 | 2 | 3 | 3.0 | C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O | None | ||
None | 214179 | 0 | 3H-RX821002 | -6 | 19 | Pig | 9.0 | pKi | = | 9.0 | 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 | ||
108094 | 3368 | 22 | 3H-MK912 | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
526 | 3368 | 22 | 3H-MK912 | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
528 | 3368 | 22 | 3H-MK912 | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
CHEMBL10332 | 3368 | 22 | 3H-MK912 | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
138107169 | 214173 | 0 | 35S-GTPGammaS | -6 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 35S-GTPGammaS | -6 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
None | 214179 | 0 | 3H-RAUWOLSCINE | -14 | 19 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
41 | 1629 | 0 | 3H-PRAZOSIN | -1 | 16 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
72036 | 1629 | 0 | 3H-PRAZOSIN | -1 | 16 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
CHEMBL1765294 | 1629 | 0 | 3H-PRAZOSIN | -1 | 16 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
None | 214179 | 0 | 3H-RAUWOLSCINE | -14 | 19 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
124 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
124 | 2933 | 44 | 3H-CLONIDINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-CLONIDINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-CLONIDINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-CLONIDINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-CLONIDINE | -4 | 32 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
124 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2142 | 3047 | 54 | 3H-RX821002 | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | 3H-RX821002 | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | 3H-RX821002 | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | 3H-RX821002 | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | 3H-RX821002 | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | 3H-RX821002 | -2 | 36 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
102 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | 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 | 4064 | 44 | 3H-RAUWOLSCINE | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | 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 | ||
None | 214967 | 0 | UNDEFINED | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 390 | 1 | 2 | 4 | 3.1 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl | None | ||
12575 | 1957 | 28 | 3H-RAUWOLSCINE | -5 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
54459 | 1957 | 28 | 3H-RAUWOLSCINE | -5 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
CHEMBL10316 | 1957 | 28 | 3H-RAUWOLSCINE | -5 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
2389 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
164512323 | 214260 | 0 | 3H-RX821002 | -18 | 5 | Pig | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 214260 | 0 | 3H-RX821002 | -18 | 5 | Pig | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
46780481 | 107045 | 18 | 3H-CLONIDINE | -47 | 53 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107045 | 18 | 3H-CLONIDINE | -47 | 53 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107045 | 18 | 3H-CLONIDINE | -47 | 53 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107045 | 18 | 3H-CLONIDINE | -47 | 53 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
521 | 1377 | 64 | None | -2 | 7 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
5311068 | 1377 | 64 | None | -2 | 7 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
835 | 1377 | 64 | None | -2 | 7 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
CHEMBL778 | 1377 | 64 | None | -2 | 7 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
DB00633 | 1377 | 64 | None | -2 | 7 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
31101 | 720 | 39 | 3H-RX821002 | -12 | 35 | Human | 8.0 | pKi | = | 8.0 | 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 | 720 | 39 | 3H-RX821002 | -12 | 35 | Human | 8.0 | pKi | = | 8.0 | 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 | 720 | 39 | 3H-RX821002 | -12 | 35 | Human | 8.0 | pKi | = | 8.0 | 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 | 720 | 39 | 3H-RX821002 | -12 | 35 | Human | 8.0 | pKi | = | 8.0 | 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 | 720 | 39 | 3H-RX821002 | -12 | 35 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
202 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
60835 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
972 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
CHEMBL1175 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
DB00476 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
165193 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
2303 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
4946 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
564 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
62882 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
63 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
66366 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
91536 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
CHEMBL27 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
CHEMBL452861 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
DB00571 | 3138 | 60 | 3H-RAUWOLSCINE | -1000 | 42 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
104870 | 98423 | 39 | 3H-Yohimbine | -54 | 21 | Pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98423 | 39 | 3H-Yohimbine | -54 | 21 | Pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98423 | 39 | 3H-Yohimbine | -54 | 21 | Pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5656 | 201377 | 82 | UNDEFINED | -25 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
CHEMBL637 | 201377 | 82 | UNDEFINED | -25 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
54841 | 201437 | 51 | UNDEFINED | -1 | 28 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
CHEMBL641 | 201437 | 51 | UNDEFINED | -1 | 28 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
3075702 | 215594 | 0 | 3H-RAUWOLSCINE | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
1499 | 2060 | 43 | 35S-GTPGammaS | -1445 | 17 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
1499 | 2060 | 43 | 3H-Yohimbine | -1445 | 17 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
3779 | 2060 | 43 | 35S-GTPGammaS | -1445 | 17 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
3779 | 2060 | 43 | 3H-Yohimbine | -1445 | 17 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
536 | 2060 | 43 | 35S-GTPGammaS | -1445 | 17 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
536 | 2060 | 43 | 3H-Yohimbine | -1445 | 17 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
CHEMBL434 | 2060 | 43 | 35S-GTPGammaS | -1445 | 17 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
CHEMBL434 | 2060 | 43 | 3H-Yohimbine | -1445 | 17 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
DB01064 | 2060 | 43 | 35S-GTPGammaS | -1445 | 17 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
DB01064 | 2060 | 43 | 3H-Yohimbine | -1445 | 17 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
243 | 3153 | 85 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
3052762 | 3153 | 85 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
3502 | 3153 | 85 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
CHEMBL117287 | 3153 | 85 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
DB06480 | 3153 | 85 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
2 | 3210 | 19 | 3H-RX821002 | -2089 | 28 | 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 | 3210 | 19 | 3H-RX821002 | -2089 | 28 | 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 | 3210 | 19 | 3H-RX821002 | -2089 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
183782 | 3346 | 15 | 3H-RAUWOLSCINE | -2398 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
237 | 3346 | 15 | 3H-RAUWOLSCINE | -2398 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL85251 | 3346 | 15 | 3H-RAUWOLSCINE | -2398 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
6917970 | 3635 | 54 | 3H-CLONIDINE | -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 | 3635 | 54 | 3H-CLONIDINE | -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 | 3635 | 54 | 3H-CLONIDINE | -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 | 11279 | 124 | 3H-CLONIDINE | -41 | 31 | 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 | 11279 | 124 | 3H-CLONIDINE | -41 | 31 | 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 | ||
156391 | 46537 | 95 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
CHEMBL1200806 | 46537 | 95 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
CHEMBL154 | 46537 | 95 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
10624 | 69957 | 17 | 125I-Clonidine | -102 | 32 | 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 | 69957 | 17 | 125I-Clonidine | -102 | 32 | 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 | 69957 | 17 | 125I-Clonidine | -102 | 32 | 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 | 93798 | 96 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
CHEMBL25 | 93798 | 96 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
3663 | 99505 | 79 | 3H-CLONIDINE | -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 | 99505 | 79 | 3H-CLONIDINE | -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 | 132998 | 13 | 3H-CLONIDINE | -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 | 132998 | 13 | 3H-CLONIDINE | -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 | ||
5280343 | 187691 | 119 | 3H-CLONIDINE | -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 | 187691 | 119 | 3H-CLONIDINE | -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 | 187691 | 119 | 3H-CLONIDINE | -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 | ||
54676228 | 192874 | 108 | 3H-CLONIDINE | -1 | 28 | 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 | 192874 | 108 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
2771 | 193347 | 67 | 3H-RAUWOLSCINE | -120 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
2771 | 193347 | 67 | 3H-RX821002 | -120 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL1200781 | 193347 | 67 | 3H-RAUWOLSCINE | -120 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL1200781 | 193347 | 67 | 3H-RX821002 | -120 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL549 | 193347 | 67 | 3H-RAUWOLSCINE | -120 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL549 | 193347 | 67 | 3H-RX821002 | -120 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
4495 | 194860 | 87 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
CHEMBL56367 | 194860 | 87 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
54677470 | 198867 | 110 | 3H-CLONIDINE | -1 | 30 | 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 | 198867 | 110 | 3H-CLONIDINE | -1 | 30 | 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 | 198867 | 110 | 3H-CLONIDINE | -1 | 30 | 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 | ||
5281600 | 201336 | 85 | 3H-CLONIDINE | -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 | 201336 | 85 | 3H-CLONIDINE | -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 | ||
5656 | 201377 | 82 | 3H-RX821002 | -25 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
CHEMBL637 | 201377 | 82 | 3H-RX821002 | -25 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
4054 | 203790 | 64 | 125I-Clonidine | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
CHEMBL1699 | 203790 | 64 | 125I-Clonidine | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
CHEMBL807 | 203790 | 64 | 125I-Clonidine | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
None | 214217 | 0 | 3H-RAUWOLSCINE | -1 | 27 | 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 | ||
104911 | 214249 | 0 | 3H-CLONIDINE | -41686 | 36 | Human | 5.0 | pKi | = | 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 | 214256 | 0 | 3H-RAUWOLSCINE | -6309 | 13 | 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 | ||
25137849 | 214425 | 0 | 3H-CLONIDINE | -2 | 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 | 214425 | 0 | 3H-CLONIDINE | -2 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
31404 | 214439 | 0 | 3H-Yohimbine | - | 1 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 253 | 1 | 1 | 4 | 1.5 | CCN1CCC2=C(CC1)OC(=N2)N.Cl.Cl | None | ||
127151 | 214487 | 0 | 3H-RX821002 | -1584 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 313 | 6 | 1 | 4 | 3.2 | CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3 | None | ||
None | 214560 | 0 | 3H-CLONIDINE | -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 | 214561 | 0 | 3H-CLONIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
None | 214562 | 0 | 3H-CLONIDINE | -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 | 214563 | 0 | 3H-CLONIDINE | -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 | 214564 | 0 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
None | 214565 | 0 | 3H-CLONIDINE | -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 | 214566 | 0 | 3H-CLONIDINE | -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 | 214567 | 0 | 3H-CLONIDINE | -1 | 29 | 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 | 214576 | 0 | 3H-CLONIDINE | -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 | 214577 | 0 | 3H-CLONIDINE | -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 | 214578 | 0 | 3H-CLONIDINE | 2 | 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 | 214580 | 0 | 3H-CLONIDINE | -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 | 214591 | 0 | 3H-RX821002 | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | ||
135269 | 214639 | 0 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
23681059 | 214640 | 0 | 3H-CLONIDINE | -1 | 29 | 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 | 214641 | 0 | 3H-CLONIDINE | -1 | 29 | 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 | ||
3672 | 214642 | 0 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | None | ||
84003 | 214643 | 0 | 3H-CLONIDINE | -1 | 28 | 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 | 214644 | 0 | 3H-CLONIDINE | -1412 | 27 | 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 | 214645 | 0 | 3H-CLONIDINE | -1 | 30 | 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 | ||
5090 | 214646 | 0 | 3H-CLONIDINE | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
119607 | 214647 | 0 | 3H-CLONIDINE | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N | None | ||
None | 214648 | 0 | 3H-CLONIDINE | -7 | 29 | 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 | 214747 | 0 | 3H-CLONIDINE | -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 | ||
11954224 | 214174 | 0 | 3H-CLONIDINE | -446 | 59 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
1830 | 2552 | 39 | 3H-CLONIDINE | -14 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
207 | 2552 | 39 | 3H-CLONIDINE | -14 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
23897 | 2552 | 39 | 3H-CLONIDINE | -14 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
CHEMBL460 | 2552 | 39 | 3H-CLONIDINE | -14 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
DB01618 | 2552 | 39 | 3H-CLONIDINE | -14 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
None | 214261 | 0 | 3H-RAUWOLSCINE | -19 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 401 | 6 | 1 | 5 | 0.6 | CS(=O)(=O)NCCN(C1CCN2CCC3=CC=CC=C3C2C1)S(=O)(=O)C | None | ||
11079 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
3369 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
4436 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
5509 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
CHEMBL761 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
DB06711 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
179 | 396 | 107 | 125I-Clonidine | -35 | 50 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 396 | 107 | 125I-Clonidine | -35 | 50 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 396 | 107 | 125I-Clonidine | -35 | 50 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 396 | 107 | 125I-Clonidine | -35 | 50 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 396 | 107 | 125I-Clonidine | -35 | 50 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
1353 | 1880 | 85 | 3H-CLONIDINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
1353 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | 3H-CLONIDINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | 3H-CLONIDINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | 3H-CLONIDINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | 3H-CLONIDINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
4209 | 3114 | 71 | 3H-RX821002 | -1862 | 33 | Pig | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 3H-RX821002 | -1862 | 33 | Pig | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 3H-RX821002 | -1862 | 33 | Pig | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 3H-RX821002 | -1862 | 33 | Pig | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 3H-RX821002 | -1862 | 33 | Pig | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 3H-RX821002 | -1862 | 33 | Pig | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
None | 214590 | 0 | 3H-RX821002 | -15 | 19 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
1267 | 3744 | 43 | 3H-RAUWOLSCINE | -52 | 25 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
3035905 | 3744 | 43 | 3H-RAUWOLSCINE | -52 | 25 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
CHEMBL260374 | 3744 | 43 | 3H-RAUWOLSCINE | -52 | 25 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
None | 214629 | 0 | 3H-RAUWOLSCINE | -141 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 243 | 3 | 1 | 4 | 2.7 | CCC1=CC2=C(O1)C=CC3=C2N(N=C3)CC(C)N | None | ||
5268 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
68602 | 203416 | 72 | 35S-GTPGammaS | -1 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 203416 | 72 | 35S-GTPGammaS | -1 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
164512323 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
122211 | 458 | 0 | 3H-RAUWOLSCINE | -239 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 458 | 0 | 3H-RAUWOLSCINE | -239 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
138107169 | 214173 | 0 | 3H-RAUWOLSCINE | -6 | 22 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 3H-RAUWOLSCINE | -6 | 22 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
122211 | 458 | 0 | 3H-MK912 | -239 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 458 | 0 | 3H-MK912 | -239 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
10297 | 26905 | 29 | 3H-CLONIDINE | -5 | 43 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
CHEMBL136560 | 26905 | 29 | 3H-CLONIDINE | -5 | 43 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
100 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
100 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | 3H-CLONIDINE | -33 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
44438148 | 93057 | 0 | UNDEFINED | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | None | ||
CHEMBL246229 | 93057 | 0 | UNDEFINED | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | None | ||
135409468 | 2004 | 63 | 3H-CLONIDINE | -48 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
333 | 2004 | 63 | 3H-CLONIDINE | -48 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
CHEMBL845 | 2004 | 63 | 3H-CLONIDINE | -48 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
2995 | 202700 | 49 | 3H-RAUWOLSCINE | -12 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL1696 | 202700 | 49 | 3H-RAUWOLSCINE | -12 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL72 | 202700 | 49 | 3H-RAUWOLSCINE | -12 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
None | 214179 | 0 | 3H-MK912 | -14 | 19 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
164512323 | 214260 | 0 | 3H-RX821002 | -18 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 214260 | 0 | 3H-RX821002 | -18 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
44438166 | 93384 | 0 | UNDEFINED | -33 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | None | ||
CHEMBL247664 | 93384 | 0 | UNDEFINED | -33 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | None | ||
25058166 | 214181 | 0 | 3H-RX821002 | -70 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
6852389 | 214181 | 0 | 3H-RX821002 | -70 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
484 | 2814 | 45 | 35S-GTPGammaS | -14 | 35 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 35S-GTPGammaS | -14 | 35 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 35S-GTPGammaS | -14 | 35 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
135398737 | 944 | 89 | 3H-CLONIDINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
135398737 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-CLONIDINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-CLONIDINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-CLONIDINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-CLONIDINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
7153 | 97570 | 74 | 3H-CLONIDINE | -7 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97570 | 74 | 3H-CLONIDINE | -7 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
1028 | 287 | 69 | 35S-GTPGammaS | -30 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
139148732 | 287 | 69 | 35S-GTPGammaS | -30 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
479 | 287 | 69 | 35S-GTPGammaS | -30 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
5816 | 287 | 69 | 35S-GTPGammaS | -30 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL679 | 287 | 69 | 35S-GTPGammaS | -30 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00668 | 287 | 69 | 35S-GTPGammaS | -30 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
3658 | 4044 | 47 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
517 | 4044 | 47 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
5709 | 4044 | 47 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
CHEMBL312448 | 4044 | 47 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
DB06694 | 4044 | 47 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
124 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
5524 | 214717 | 0 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | ||
68602 | 203416 | 72 | 3H-MK912 | -1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 203416 | 72 | 3H-MK912 | -1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
1613 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
2389 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
1613 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | 3H-CLONIDINE | -7 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
2389 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | 3H-CLONIDINE | -69 | 67 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
68712 | 99874 | 57 | 35S-GTPGammaS | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
CHEMBL289480 | 99874 | 57 | 35S-GTPGammaS | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
186 | 1777 | 47 | 3H-CLONIDINE | -208 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
71781 | 1777 | 47 | 3H-CLONIDINE | -208 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
CHEMBL18972 | 1777 | 47 | 3H-CLONIDINE | -208 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
16362 | 3076 | 67 | 3H-CLONIDINE | -501 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
2172 | 3076 | 67 | 3H-CLONIDINE | -501 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
90 | 3076 | 67 | 3H-CLONIDINE | -501 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
CHEMBL1423 | 3076 | 67 | 3H-CLONIDINE | -501 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
DB01100 | 3076 | 67 | 3H-CLONIDINE | -501 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
11079 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
3369 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
4436 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
5509 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
CHEMBL761 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
DB06711 | 2693 | 59 | 35S-GTPGammaS | -1 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
2865 | 4079 | 67 | 3H-CLONIDINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
2865 | 4079 | 67 | 3H-RAUWOLSCINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4079 | 67 | 3H-CLONIDINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4079 | 67 | 3H-RAUWOLSCINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4079 | 67 | 3H-CLONIDINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4079 | 67 | 3H-RAUWOLSCINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4079 | 67 | 3H-CLONIDINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4079 | 67 | 3H-RAUWOLSCINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4079 | 67 | 3H-CLONIDINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4079 | 67 | 3H-RAUWOLSCINE | -64 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
3294 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
3294 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1975 | 106 | 3H-RX821002 | -47 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
119570 | 3110 | 90 | 3H-RX821002 | -69 | 40 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3110 | 90 | 3H-RX821002 | -69 | 40 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3110 | 90 | 3H-RX821002 | -69 | 40 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3110 | 90 | 3H-RX821002 | -69 | 40 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3110 | 90 | 3H-RX821002 | -69 | 40 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
1223 | 940 | 32 | 3H-RAUWOLSCINE | -93 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
2790 | 940 | 32 | 3H-RAUWOLSCINE | -93 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
CHEMBL14690 | 940 | 32 | 3H-RAUWOLSCINE | -93 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
134 | 2478 | 19 | 3H-CLONIDINE | -74 | 67 | Human | 6.8 | pKi | = | 6.8 | 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 | 2478 | 19 | 3H-CLONIDINE | -74 | 67 | Human | 6.8 | pKi | = | 6.8 | 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 | 2478 | 19 | 3H-CLONIDINE | -74 | 67 | Human | 6.8 | pKi | = | 6.8 | 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 | 2478 | 19 | 3H-CLONIDINE | -74 | 67 | Human | 6.8 | pKi | = | 6.8 | 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 | 2478 | 19 | 3H-CLONIDINE | -74 | 67 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
122211 | 458 | 0 | 3H-RAUWOLSCINE | -239 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 458 | 0 | 3H-RAUWOLSCINE | -239 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
16725934 | 146890 | 0 | UNDEFINED | -87 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | None | ||
CHEMBL392992 | 146890 | 0 | UNDEFINED | -87 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | None | ||
15897 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
103 | 4089 | 56 | 3H-RAUWOLSCINE | -54 | 53 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4089 | 56 | 3H-RAUWOLSCINE | -54 | 53 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4089 | 56 | 3H-RAUWOLSCINE | -54 | 53 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4089 | 56 | 3H-RAUWOLSCINE | -54 | 53 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4089 | 56 | 3H-RAUWOLSCINE | -54 | 53 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2726 | 906 | 64 | 3H-CLONIDINE | -64 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-CLONIDINE | -64 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-CLONIDINE | -64 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-CLONIDINE | -64 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-CLONIDINE | -64 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
1220 | 186 | 46 | 3H-RAUWOLSCINE | -147 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
31 | 186 | 46 | 3H-RAUWOLSCINE | -147 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
7 | 186 | 46 | 3H-RAUWOLSCINE | -147 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
CHEMBL56 | 186 | 46 | 3H-RAUWOLSCINE | -147 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
44438168 | 93385 | 0 | UNDEFINED | -53 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | None | ||
CHEMBL247665 | 93385 | 0 | UNDEFINED | -53 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | None | ||
2402 | 3318 | 58 | 3H-RX821002 | -6 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
5095 | 3318 | 58 | 3H-RX821002 | -6 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
7295 | 3318 | 58 | 3H-RX821002 | -6 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
CHEMBL589 | 3318 | 58 | 3H-RX821002 | -6 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
DB00268 | 3318 | 58 | 3H-RX821002 | -6 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
2142 | 3047 | 54 | 3H-RX821002 | -2 | 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 | 3047 | 54 | 3H-RX821002 | -2 | 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 | 3047 | 54 | 3H-RX821002 | -2 | 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 | 3047 | 54 | 3H-RX821002 | -2 | 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 | 3047 | 54 | 3H-RX821002 | -2 | 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 | 3047 | 54 | 3H-RX821002 | -2 | 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 | ||
185 | 3943 | 54 | 3H-CLONIDINE | -5888 | 37 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
5311271 | 3943 | 54 | 3H-CLONIDINE | -5888 | 37 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
CHEMBL74355 | 3943 | 54 | 3H-CLONIDINE | -5888 | 37 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
DB16351 | 3943 | 54 | 3H-CLONIDINE | -5888 | 37 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
135398745 | 2869 | 108 | 3H-RAUWOLSCINE | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | 3H-RAUWOLSCINE | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | 3H-RAUWOLSCINE | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | 3H-RAUWOLSCINE | -93 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
484 | 2814 | 45 | 35S-GTPGammaS | -9 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 35S-GTPGammaS | -9 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 35S-GTPGammaS | -9 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
68602 | 203416 | 72 | 35S-GTPGammaS | -1 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 203416 | 72 | 35S-GTPGammaS | -1 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
None | 214180 | 0 | 3H-RAUWOLSCINE | -2 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 358 | 4 | 0 | 3 | 2.8 | CCCS(=O)(=O)N(C)C1CCN2CCC3=CC=CC=C3C2C1.Cl | None | ||
123981 | 16282 | 20 | 3H-RAUWOLSCINE | -2 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
CHEMBL123349 | 16282 | 20 | 3H-RAUWOLSCINE | -2 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
CHEMBL536803 | 16282 | 20 | 3H-RAUWOLSCINE | -2 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
2142 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
2142 | 3047 | 54 | 3H-RX821002 | -1 | 36 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | 3H-RX821002 | -1 | 36 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | 3H-RX821002 | -1 | 36 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | 3H-RX821002 | -1 | 36 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | 3H-RX821002 | -1 | 36 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | 3H-RX821002 | -1 | 36 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
1816 | 2504 | 99 | 3H-RAUWOLSCINE | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
4205 | 2504 | 99 | 3H-RAUWOLSCINE | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
7241 | 2504 | 99 | 3H-RAUWOLSCINE | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
CHEMBL654 | 2504 | 99 | 3H-RAUWOLSCINE | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
DB00370 | 2504 | 99 | 3H-RAUWOLSCINE | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
1343 | 1858 | 55 | 35S-GTPGammaS | -3 | 9 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1858 | 55 | 35S-GTPGammaS | -3 | 9 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1858 | 55 | 35S-GTPGammaS | -3 | 9 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1858 | 55 | 35S-GTPGammaS | -3 | 9 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1858 | 55 | 35S-GTPGammaS | -3 | 9 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
2142 | 3047 | 54 | 35S-GTPGammaS | -2 | 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 | 3047 | 54 | 35S-GTPGammaS | -2 | 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 | 3047 | 54 | 35S-GTPGammaS | -2 | 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 | 3047 | 54 | 35S-GTPGammaS | -2 | 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 | 3047 | 54 | 35S-GTPGammaS | -2 | 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 | 3047 | 54 | 35S-GTPGammaS | -2 | 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 | ||
11079 | 2693 | 59 | 35S-GTPGammaS | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
3369 | 2693 | 59 | 35S-GTPGammaS | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
4436 | 2693 | 59 | 35S-GTPGammaS | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
5509 | 2693 | 59 | 35S-GTPGammaS | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
CHEMBL761 | 2693 | 59 | 35S-GTPGammaS | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
DB06711 | 2693 | 59 | 35S-GTPGammaS | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
25137849 | 214425 | 0 | 3H-CLONIDINE | -2 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
71290 | 214425 | 0 | 3H-CLONIDINE | -2 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
11750482 | 146888 | 0 | UNDEFINED | -25 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | None | ||
CHEMBL392991 | 146888 | 0 | UNDEFINED | -25 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | None | ||
3952 | 1857 | 33 | 35S-GTPGammaS | -2 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5353646 | 1857 | 33 | 35S-GTPGammaS | -2 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5443 | 1857 | 33 | 35S-GTPGammaS | -2 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5702063 | 1857 | 33 | 35S-GTPGammaS | -2 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL1331786 | 1857 | 33 | 35S-GTPGammaS | -2 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL420 | 1857 | 33 | 35S-GTPGammaS | -2 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
2435 | 714 | 98 | 35S-GTPGammaS | -4 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
395 | 714 | 98 | 35S-GTPGammaS | -4 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
520 | 714 | 98 | 35S-GTPGammaS | -4 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
5386 | 714 | 98 | 35S-GTPGammaS | -4 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
CHEMBL844 | 714 | 98 | 35S-GTPGammaS | -4 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
DB00484 | 714 | 98 | 35S-GTPGammaS | -4 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
4209 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
44438161 | 146608 | 0 | UNDEFINED | -22 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | None | ||
CHEMBL392771 | 146608 | 0 | UNDEFINED | -22 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | None | ||
2337 | 3205 | 72 | 3H-RAUWOLSCINE | -50 | 62 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | 3H-RAUWOLSCINE | -50 | 62 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | 3H-RAUWOLSCINE | -50 | 62 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | 3H-RAUWOLSCINE | -50 | 62 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | 3H-RAUWOLSCINE | -50 | 62 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
4209 | 3114 | 71 | 3H-MK912 | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 3H-MK912 | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 3H-MK912 | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 3H-MK912 | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 3H-MK912 | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 3H-MK912 | -3235 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
2695 | 3780 | 76 | 35S-GTPGammaS | -9 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
5504 | 3780 | 76 | 35S-GTPGammaS | -9 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
7310 | 3780 | 76 | 35S-GTPGammaS | -9 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
CHEMBL770 | 3780 | 76 | 35S-GTPGammaS | -9 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
DB00797 | 3780 | 76 | 35S-GTPGammaS | -9 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
2389 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | 3H-RAUWOLSCINE | -69 | 67 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
3658 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
517 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
5709 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
CHEMBL312448 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
DB06694 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
103 | 4089 | 56 | 3H-CLONIDINE | -54 | 53 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4089 | 56 | 3H-CLONIDINE | -54 | 53 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4089 | 56 | 3H-CLONIDINE | -54 | 53 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4089 | 56 | 3H-CLONIDINE | -54 | 53 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4089 | 56 | 3H-CLONIDINE | -54 | 53 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
523 | 4043 | 90 | 35S-GTPGammaS | 1 | 5 | Mouse | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
5707 | 4043 | 90 | 35S-GTPGammaS | 1 | 5 | Mouse | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
CHEMBL297362 | 4043 | 90 | 35S-GTPGammaS | 1 | 5 | Mouse | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
DB11477 | 4043 | 90 | 35S-GTPGammaS | 1 | 5 | Mouse | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
135398737 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
2695 | 3780 | 76 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
5504 | 3780 | 76 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
7310 | 3780 | 76 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
CHEMBL770 | 3780 | 76 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
DB00797 | 3780 | 76 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
2803 | 941 | 53 | 3H-RX821002 | 1 | 19 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 3H-RX821002 | 1 | 19 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 3H-RX821002 | 1 | 19 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 3H-RX821002 | 1 | 19 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 3H-RX821002 | 1 | 19 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
124 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 35S-GTPGammaS | -28 | 32 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
3658 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
517 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
5709 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
CHEMBL312448 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
DB06694 | 4044 | 47 | 35S-GTPGammaS | -9 | 8 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
2726 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
1615 | 167228 | 22 | 3H-CLONIDINE | -6 | 44 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL43048 | 167228 | 22 | 3H-CLONIDINE | -6 | 44 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
2726 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
44438152 | 93175 | 0 | UNDEFINED | -134 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | None | ||
CHEMBL246639 | 93175 | 0 | UNDEFINED | -134 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | None | ||
162265 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
162265 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
5268 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
None | 214486 | 0 | 3H-CLONIDINE | -30199 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
2216 | 442 | 46 | 3H-Yohimbine | -57 | 6 | Pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
229 | 442 | 46 | 3H-Yohimbine | -57 | 6 | Pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
7117 | 442 | 46 | 3H-Yohimbine | -57 | 6 | Pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
CHEMBL647 | 442 | 46 | 3H-Yohimbine | -57 | 6 | Pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
DB00964 | 442 | 46 | 3H-Yohimbine | -57 | 6 | Pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
102 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
68602 | 203416 | 72 | 3H-RX821002 | -1 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 203416 | 72 | 3H-RX821002 | -1 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
124 | 2933 | 44 | 3H-RX821002 | -16 | 32 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-RX821002 | -16 | 32 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-RX821002 | -16 | 32 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-RX821002 | -16 | 32 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-RX821002 | -16 | 32 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
124 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
5268 | 3599 | 34 | 3H-RX821002 | -10 | 17 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3599 | 34 | 3H-RX821002 | -10 | 17 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3599 | 34 | 3H-RX821002 | -10 | 17 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
68602 | 203416 | 72 | 35S-GTPGammaS | 1 | 8 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 203416 | 72 | 35S-GTPGammaS | 1 | 8 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
138107169 | 214173 | 0 | 3H-RAUWOLSCINE | -6 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 3H-RAUWOLSCINE | -6 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
None | 214179 | 0 | 3H-RAUWOLSCINE | -14 | 19 | Human | 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 | ||
102 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.4 | pKi | = | 8.4 | 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 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.4 | pKi | = | 8.4 | 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 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.4 | pKi | = | 8.4 | 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 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.4 | pKi | = | 8.4 | 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 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
138107169 | 214173 | 0 | 3H-MK912 | -6 | 22 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 3H-MK912 | -6 | 22 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
115237 | 55296 | 113 | 3H-RAUWOLSCINE | -8 | 54 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55296 | 113 | 3H-RAUWOLSCINE | -8 | 54 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
122295 | 9775 | 6 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
CHEMBL114166 | 9775 | 6 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
4209 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
162265 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 200587 | 19 | 3H-CLONIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
1212 | 1632 | 45 | 3H-RAUWOLSCINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | 3H-RAUWOLSCINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | 3H-RAUWOLSCINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | 3H-RAUWOLSCINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | 3H-RAUWOLSCINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
11225732 | 93224 | 0 | UNDEFINED | -16 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | None | ||
CHEMBL246852 | 93224 | 0 | UNDEFINED | -16 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | None | ||
2803 | 941 | 53 | 3H-RX821002 | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 3H-RX821002 | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 3H-RX821002 | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 3H-RX821002 | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 3H-RX821002 | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
5524 | 214717 | 0 | 35S-GTPGammaS | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | ||
1212 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
135398745 | 2869 | 108 | 3H-CLONIDINE | -93 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | 3H-CLONIDINE | -93 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | 3H-CLONIDINE | -93 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | 3H-CLONIDINE | -93 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
1212 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | 3H-CLONIDINE | -165 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
135398745 | 2869 | 108 | 3H-CLONIDINE | -93 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | 3H-CLONIDINE | -93 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | 3H-CLONIDINE | -93 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | 3H-CLONIDINE | -93 | 65 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
4209 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 3H-RAUWOLSCINE | -3235 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
133621 | 1981 | 0 | 35S-GTPGammaS | -6 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
3470 | 1981 | 0 | 35S-GTPGammaS | -6 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
CHEMBL347695 | 1981 | 0 | 35S-GTPGammaS | -6 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
523 | 4043 | 90 | 3H-Yohimbine | -1 | 5 | Pig | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
5707 | 4043 | 90 | 3H-Yohimbine | -1 | 5 | Pig | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
CHEMBL297362 | 4043 | 90 | 3H-Yohimbine | -1 | 5 | Pig | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
DB11477 | 4043 | 90 | 3H-Yohimbine | -1 | 5 | Pig | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
122295 | 9775 | 6 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
CHEMBL114166 | 9775 | 6 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
None | 214486 | 0 | 3H-CLONIDINE | -30199 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
122295 | 9775 | 6 | 3H-RX821002 | -1 | 9 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
CHEMBL114166 | 9775 | 6 | 3H-RX821002 | -1 | 9 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
2803 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
124 | 2933 | 44 | 3H-Yohimbine | -16 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-Yohimbine | -16 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-Yohimbine | -16 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-Yohimbine | -16 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-Yohimbine | -16 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
138107169 | 214173 | 0 | 35S-GTPGammaS | -97 | 22 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 35S-GTPGammaS | -97 | 22 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
2337 | 3205 | 72 | 125I-Clonidine | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
2337 | 3205 | 72 | 3H-CLONIDINE | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | 125I-Clonidine | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | 3H-CLONIDINE | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | 125I-Clonidine | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | 3H-CLONIDINE | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | 125I-Clonidine | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | 3H-CLONIDINE | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | 125I-Clonidine | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | 3H-CLONIDINE | -50 | 62 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
122211 | 458 | 0 | 3H-RX821002 | -229 | 6 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 458 | 0 | 3H-RX821002 | -229 | 6 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
104870 | 98423 | 39 | 3H-RX821002 | -2 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98423 | 39 | 3H-RX821002 | -2 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98423 | 39 | 3H-RX821002 | -2 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
484 | 2814 | 45 | 3H-RX821002 | -14 | 35 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 3H-RX821002 | -14 | 35 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 3H-RX821002 | -14 | 35 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
1524 | 2150 | 89 | 3H-RAUWOLSCINE | -269 | 51 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2150 | 89 | 3H-RAUWOLSCINE | -269 | 51 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2150 | 89 | 3H-RAUWOLSCINE | -269 | 51 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2150 | 89 | 3H-RAUWOLSCINE | -269 | 51 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2150 | 89 | 3H-RAUWOLSCINE | -269 | 51 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2150 | 89 | 3H-RAUWOLSCINE | -269 | 51 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
122211 | 458 | 0 | 3H-RAUWOLSCINE | -239 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 458 | 0 | 3H-RAUWOLSCINE | -239 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
3337 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
65801 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
66264 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
91452 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
67409 | 214263 | 0 | 3H-RAUWOLSCINE | -7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 235 | 2 | 0 | 1 | 3.9 | C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 | None | ||
8966 | 214263 | 0 | 3H-RAUWOLSCINE | -7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 235 | 2 | 0 | 1 | 3.9 | C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 | None | ||
1028 | 287 | 69 | 35S-GTPGammaS | -72 | 29 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
139148732 | 287 | 69 | 35S-GTPGammaS | -72 | 29 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
479 | 287 | 69 | 35S-GTPGammaS | -72 | 29 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
5816 | 287 | 69 | 35S-GTPGammaS | -72 | 29 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL679 | 287 | 69 | 35S-GTPGammaS | -72 | 29 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00668 | 287 | 69 | 35S-GTPGammaS | -72 | 29 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
484 | 2814 | 45 | 35S-GTPGammaS | -9 | 35 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 35S-GTPGammaS | -9 | 35 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 35S-GTPGammaS | -9 | 35 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
104870 | 98423 | 39 | 35S-GTPGammaS | -2 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98423 | 39 | 35S-GTPGammaS | -2 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98423 | 39 | 35S-GTPGammaS | -2 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
24840389 | 114714 | 3 | 3H-RX821002 | -295 | 15 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 415 | 9 | 0 | 4 | 4.6 | CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 | None | ||
CHEMBL334529 | 114714 | 3 | 3H-RX821002 | -295 | 15 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 415 | 9 | 0 | 4 | 4.6 | CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 | None | ||
2142 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
2142 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
931 | 214716 | 0 | 35S-GTPGammaS | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 128 | 0 | 0 | 0 | 2.8 | C1=CC=C2C=CC=CC2=C1 | None | ||
115237 | 55296 | 113 | 3H-CLONIDINE | -8 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55296 | 113 | 3H-CLONIDINE | -8 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
135 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
12057539 | 206301 | 39 | None | -9 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
3661 | 206301 | 39 | None | -9 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
CHEMBL9751 | 206301 | 39 | None | -9 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
124 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-RAUWOLSCINE | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2803 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
44438147 | 93056 | 0 | UNDEFINED | -20 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | None | ||
CHEMBL246228 | 93056 | 0 | UNDEFINED | -20 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | None | ||
10836 | 14329 | 13 | 3H-CLONIDINE | -2 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
CHEMBL1201201 | 14329 | 13 | 3H-CLONIDINE | -2 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
44438167 | 148438 | 0 | UNDEFINED | -52 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | None | ||
CHEMBL394218 | 148438 | 0 | UNDEFINED | -52 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | None | ||
2435 | 714 | 98 | 35S-GTPGammaS | -7 | 12 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
395 | 714 | 98 | 35S-GTPGammaS | -7 | 12 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
520 | 714 | 98 | 35S-GTPGammaS | -7 | 12 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
5386 | 714 | 98 | 35S-GTPGammaS | -7 | 12 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
CHEMBL844 | 714 | 98 | 35S-GTPGammaS | -7 | 12 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
DB00484 | 714 | 98 | 35S-GTPGammaS | -7 | 12 | Mouse | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
100 | 3745 | 52 | 3H-RAUWOLSCINE | -33 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | 3H-RAUWOLSCINE | -33 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | 3H-RAUWOLSCINE | -33 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | 3H-RAUWOLSCINE | -33 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | 3H-RAUWOLSCINE | -33 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
44438165 | 166231 | 0 | UNDEFINED | -48 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | None | ||
CHEMBL428407 | 166231 | 0 | UNDEFINED | -48 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | None | ||
135 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
164512323 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
135398745 | 2869 | 108 | 3H-RAUWOLSCINE | -93 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | 3H-RAUWOLSCINE | -93 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | 3H-RAUWOLSCINE | -93 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | 3H-RAUWOLSCINE | -93 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
1353 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | 3H-RAUWOLSCINE | -190 | 85 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
2435 | 714 | 98 | 3H-Yohimbine | -81 | 12 | Pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
395 | 714 | 98 | 3H-Yohimbine | -81 | 12 | Pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
520 | 714 | 98 | 3H-Yohimbine | -81 | 12 | Pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
5386 | 714 | 98 | 3H-Yohimbine | -81 | 12 | Pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
CHEMBL844 | 714 | 98 | 3H-Yohimbine | -81 | 12 | Pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
DB00484 | 714 | 98 | 3H-Yohimbine | -81 | 12 | Pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
5280805 | 84981 | 76 | None | -28 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
CHEMBL226335 | 84981 | 76 | None | -28 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
1210 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 905 | 45 | None | -263 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
3823 | 49951 | 38 | None | -40 | 11 | Human | 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 | 49951 | 38 | None | -40 | 11 | Human | 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 | 49951 | 38 | None | -40 | 11 | Human | 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 | ||
28417 | 39799 | 48 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
CHEMBL1479 | 39799 | 48 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
3652 | 45983 | 62 | None | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
CHEMBL1535 | 45983 | 62 | None | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
135 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | 3H-RAUWOLSCINE | -4 | 57 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1960 | 2815 | 64 | None | -35 | 26 | Mouse | 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 | 2815 | 64 | None | -35 | 26 | Mouse | 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 | 2815 | 64 | None | -35 | 26 | Mouse | 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 | 2815 | 64 | None | -35 | 26 | Mouse | 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 | 2815 | 64 | None | -35 | 26 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
4158 | 203630 | 21 | None | -2 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL1722 | 203630 | 21 | None | -2 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL796 | 203630 | 21 | None | -2 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
448537 | 159703 | 86 | None | -33 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
CHEMBL411 | 159703 | 86 | None | -33 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
2812 | 4711 | 96 | None | -32 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
CHEMBL104 | 4711 | 96 | None | -32 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
2719 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
5535 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
607 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
CHEMBL76 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
DB00608 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
10836 | 14329 | 13 | None | -2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
CHEMBL1201201 | 14329 | 13 | None | -2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
4209 | 3114 | 71 | None | -1862 | 33 | Pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | None | -1862 | 33 | Pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | None | -1862 | 33 | Pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | None | -1862 | 33 | Pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | None | -1862 | 33 | Pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | None | -1862 | 33 | Pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
6040 | 214262 | 0 | 3H-RAUWOLSCINE | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 233 | 2 | 0 | 3 | 2.3 | C1CCN(CC1)CC2COC3=CC=CC=C3O2 | None | ||
2337 | 3205 | 72 | None | -50 | 62 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | None | -50 | 62 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | None | -50 | 62 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | None | -50 | 62 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | None | -50 | 62 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5268 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
4211 | 57517 | 81 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | None | ||
CHEMBL1670 | 57517 | 81 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | None | ||
1443 | 1997 | 30 | None | -23 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
33625 | 1997 | 30 | None | -23 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
501 | 1997 | 30 | None | -23 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
CHEMBL279516 | 1997 | 30 | None | -23 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
DB08950 | 1997 | 30 | None | -23 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
1549008 | 203967 | 81 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 4 | 0 | 1 | 4.9 | CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 | None | ||
CHEMBL822 | 203967 | 81 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 4 | 0 | 1 | 4.9 | CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 | None | ||
121850 | 717 | 0 | 3H-MK912 | 38 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | None | ||
525 | 717 | 0 | 3H-MK912 | 38 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | None | ||
CHEMBL216097 | 717 | 0 | 3H-MK912 | 38 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | None | ||
3598 | 187238 | 73 | None | -2 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
CHEMBL496 | 187238 | 73 | None | -2 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
2402 | 3318 | 58 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
5095 | 3318 | 58 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
7295 | 3318 | 58 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
CHEMBL589 | 3318 | 58 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
DB00268 | 3318 | 58 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
2247 | 502 | 77 | None | -58 | 41 | Human | 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 | 502 | 77 | None | -58 | 41 | Human | 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 | 502 | 77 | None | -58 | 41 | Human | 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 | 502 | 77 | None | -58 | 41 | Human | 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 | 502 | 77 | None | -58 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
5198 | 19235 | 46 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 247 | 4 | 1 | 3 | 2.5 | CC1CCC(NC(=O)N(CCCl)N=O)CC1 | None | ||
CHEMBL12948 | 19235 | 46 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 247 | 4 | 1 | 3 | 2.5 | CC1CCC(NC(=O)N(CCCl)N=O)CC1 | None | ||
3117 | 206106 | 100 | None | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
CHEMBL964 | 206106 | 100 | None | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
4209 | 3114 | 71 | None | -616 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | None | -616 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | None | -616 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | None | -616 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | None | -616 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | None | -616 | 33 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
3198 | 203802 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1201049 | 203802 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL808 | 203802 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
16362 | 3076 | 67 | None | -501 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
2172 | 3076 | 67 | None | -501 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
90 | 3076 | 67 | None | -501 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
CHEMBL1423 | 3076 | 67 | None | -501 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
DB01100 | 3076 | 67 | None | -501 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
5318 | 15400 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1200348 | 15400 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1221 | 15400 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
5353853 | 17803 | 41 | None | -16 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
9556529 | 17803 | 41 | None | -16 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL1262 | 17803 | 41 | None | -16 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
1836 | 2554 | 56 | None | -43 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
3340 | 2554 | 56 | None | -43 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
5281040 | 2554 | 56 | None | -43 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
CHEMBL787 | 2554 | 56 | None | -43 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
DB00471 | 2554 | 56 | None | -43 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
4189 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
2406 | 99938 | 84 | None | -16 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
CHEMBL290106 | 99938 | 84 | None | -16 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
119584 | 2557 | 99 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
1848 | 2557 | 99 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
242 | 2557 | 99 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
CHEMBL60889 | 2557 | 99 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
DB11675 | 2557 | 99 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
2484 | 206552 | 64 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 1 | 5.8 | CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12 | None | ||
CHEMBL990 | 206552 | 64 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 1 | 5.8 | CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12 | None | ||
2342 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
331 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
7124 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
CHEMBL1201250 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
DB00767 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
2335 | 11743 | 21 | None | -5 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
8478 | 11743 | 21 | None | -5 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
CHEMBL1182210 | 11743 | 21 | None | -5 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
CHEMBL221753 | 11743 | 21 | None | -5 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
1227 | 2454 | 35 | None | -91 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
2331 | 2454 | 35 | None | -91 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
3957 | 2454 | 35 | None | -91 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
4992 | 2454 | 35 | None | -91 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
CHEMBL511 | 2454 | 35 | None | -91 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
DB06691 | 2454 | 35 | None | -91 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
3168 | 9172 | 84 | None | -123 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
CHEMBL1108 | 9172 | 84 | None | -123 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
1353 | 1880 | 85 | None | -190 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | None | -190 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | None | -190 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | None | -190 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | None | -190 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
1830 | 2552 | 39 | None | -14 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
207 | 2552 | 39 | None | -14 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
23897 | 2552 | 39 | None | -14 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
CHEMBL460 | 2552 | 39 | None | -14 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
DB01618 | 2552 | 39 | None | -14 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
3151 | 1434 | 93 | None | -99 | 26 | 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 | 1434 | 93 | None | -99 | 26 | 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 | 1434 | 93 | None | -99 | 26 | 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 | 1434 | 93 | None | -99 | 26 | 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 | 1434 | 93 | None | -99 | 26 | 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 | ||
1782 | 2482 | 81 | None | -5 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
241 | 2482 | 81 | None | -5 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
4168 | 2482 | 81 | None | -5 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
CHEMBL86 | 2482 | 81 | None | -5 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
DB01233 | 2482 | 81 | None | -5 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
135398737 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
2803 | 941 | 53 | 3H-MK912 | -1 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 3H-MK912 | -1 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 3H-MK912 | -1 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 3H-MK912 | -1 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 3H-MK912 | -1 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
2105 | 3005 | 34 | 3H-RX821002 | -58 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3005 | 34 | 3H-RX821002 | -58 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3005 | 34 | 3H-RX821002 | -58 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3005 | 34 | 3H-RX821002 | -58 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3005 | 34 | 3H-RX821002 | -58 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
1343 | 1858 | 55 | 3H-MK912 | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1858 | 55 | 3H-MK912 | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1858 | 55 | 3H-MK912 | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1858 | 55 | 3H-MK912 | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1858 | 55 | 3H-MK912 | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
15897 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
11957583 | 214440 | 0 | 3H-Yohimbine | - | 1 | Pig | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 391 | 1 | 2 | 3 | 3.4 | C1CN=C(N1)NC2=C(C=C(C=C2Cl)I)Cl.Cl | None | ||
2801 | 161325 | 56 | 3H-RX821002 | -14 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL1200710 | 161325 | 56 | 3H-RX821002 | -14 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL415 | 161325 | 56 | 3H-RX821002 | -14 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
6852400 | 214160 | 0 | 3H-RAUWOLSCINE | -131 | 21 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | ||
73759726 | 214160 | 0 | 3H-RAUWOLSCINE | -131 | 21 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | ||
3337 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
65801 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
66264 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
91452 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
5268 | 3599 | 34 | 3H-MK912 | -60 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3599 | 34 | 3H-MK912 | -60 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3599 | 34 | 3H-MK912 | -60 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
2726 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
4158 | 203630 | 21 | 125I-Clonidine | -2 | 20 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL1722 | 203630 | 21 | 125I-Clonidine | -2 | 20 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL796 | 203630 | 21 | 125I-Clonidine | -2 | 20 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
484 | 2814 | 45 | 3H-Yohimbine | -14 | 35 | Pig | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 3H-Yohimbine | -14 | 35 | Pig | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 3H-Yohimbine | -14 | 35 | Pig | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
3952 | 1857 | 33 | 3H-Yohimbine | -9 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5353646 | 1857 | 33 | 3H-Yohimbine | -9 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5443 | 1857 | 33 | 3H-Yohimbine | -9 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5702063 | 1857 | 33 | 3H-Yohimbine | -9 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL1331786 | 1857 | 33 | 3H-Yohimbine | -9 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL420 | 1857 | 33 | 3H-Yohimbine | -9 | 12 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
1222 | 1634 | 44 | 3H-RAUWOLSCINE | -100 | 32 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3396 | 1634 | 44 | 3H-RAUWOLSCINE | -100 | 32 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
85 | 1634 | 44 | 3H-RAUWOLSCINE | -100 | 32 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL46516 | 1634 | 44 | 3H-RAUWOLSCINE | -100 | 32 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
DB04842 | 1634 | 44 | 3H-RAUWOLSCINE | -100 | 32 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
523 | 4043 | 90 | 35S-GTPGammaS | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
5707 | 4043 | 90 | 35S-GTPGammaS | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
CHEMBL297362 | 4043 | 90 | 35S-GTPGammaS | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
DB11477 | 4043 | 90 | 35S-GTPGammaS | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
2142 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | 3H-RAUWOLSCINE | -2 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
11634155 | 190881 | 35 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2 | None | ||
6018 | 190881 | 35 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2 | None | ||
CHEMBL519344 | 190881 | 35 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2 | None | ||
463 | 1378 | 17 | None | -67 | 13 | Human | 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 | 1378 | 17 | None | -67 | 13 | Human | 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 | 1378 | 17 | None | -67 | 13 | Human | 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 | 1378 | 17 | None | -67 | 13 | Human | 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 | 1378 | 17 | None | -67 | 13 | Human | 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 | ||
237 | 203157 | 43 | None | -1 | 13 | Human | 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 | 203157 | 43 | None | -1 | 13 | Human | 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 | 203157 | 43 | None | -1 | 13 | Human | 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 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
2181 | 3079 | 0 | None | -11 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
4830 | 3079 | 0 | None | -11 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
92 | 3079 | 0 | None | -11 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
CHEMBL440294 | 3079 | 0 | None | -11 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
DB09286 | 3079 | 0 | None | -11 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
1530 | 2151 | 44 | None | -70 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
3827 | 2151 | 44 | None | -70 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
7206 | 2151 | 44 | None | -70 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
CHEMBL534 | 2151 | 44 | None | -70 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
DB00920 | 2151 | 44 | None | -70 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
4601 | 205020 | 29 | None | -2 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
CHEMBL1201023 | 205020 | 29 | None | -2 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
CHEMBL900 | 205020 | 29 | None | -2 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
5467 | 204212 | 40 | None | -6 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | None | ||
CHEMBL84158 | 204212 | 40 | None | -6 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | None | ||
1577 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
164512405 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
2537 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
5355 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
5501 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
643497 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
688272 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
958 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
960 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
CHEMBL196677 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
CHEMBL26 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
CHEMBL267044 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
DB00391 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
DB16021 | 3647 | 104 | None | -2 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
657255 | 197406 | 29 | None | -10 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
CHEMBL588119 | 197406 | 29 | None | -10 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
3157 | 1442 | 69 | None | -61 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
7170 | 1442 | 69 | None | -61 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
954 | 1442 | 69 | None | -61 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
CHEMBL707 | 1442 | 69 | None | -61 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
DB00590 | 1442 | 69 | None | -61 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
1016 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2561 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2733526 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
5384 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
CHEMBL83 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
DB00675 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
4011 | 81996 | 43 | None | -35 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
CHEMBL21731 | 81996 | 43 | None | -35 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
26757 | 206239 | 29 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | None | ||
CHEMBL972 | 206239 | 29 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | None | ||
219050 | 3321 | 21 | 3H-RX821002 | -38 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
52 | 3321 | 21 | 3H-RX821002 | -38 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
CHEMBL431367 | 3321 | 21 | 3H-RX821002 | -38 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
240 | 931 | 39 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
2769 | 931 | 39 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
44279790 | 931 | 39 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
660 | 931 | 39 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL1729 | 931 | 39 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL560739 | 931 | 39 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
DB00604 | 931 | 39 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
214 | 3799 | 52 | None | -75 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
2740 | 3799 | 52 | None | -75 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
5566 | 3799 | 52 | None | -75 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
66064 | 3799 | 52 | None | -75 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL422 | 3799 | 52 | None | -75 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00831 | 3799 | 52 | None | -75 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
209 | 3008 | 94 | None | -100 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2113 | 3008 | 94 | None | -100 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4748 | 3008 | 94 | None | -100 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
CHEMBL567 | 3008 | 94 | None | -100 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
DB00850 | 3008 | 94 | None | -100 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2435 | 3533 | 78 | None | -123 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3533 | 78 | None | -123 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3533 | 78 | None | -123 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3533 | 78 | None | -123 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3533 | 78 | None | -123 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
1042 | 1551 | 20 | None | -97 | 16 | Human | 8.2 | pKi | = | 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 | 1551 | 20 | None | -97 | 16 | Human | 8.2 | pKi | = | 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 | 1551 | 20 | None | -97 | 16 | Human | 8.2 | pKi | = | 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 | 1551 | 20 | None | -97 | 16 | Human | 8.2 | pKi | = | 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 | 1551 | 20 | None | -97 | 16 | Human | 8.2 | pKi | = | 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 | ||
2726 | 906 | 64 | None | -64 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | None | -64 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | None | -64 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | None | -64 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | None | -64 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
134 | 2478 | 19 | None | -74 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 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 | 2478 | 19 | None | -74 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 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 | 2478 | 19 | None | -74 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 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 | 2478 | 19 | None | -74 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 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 | 2478 | 19 | None | -74 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
2351 | 3234 | 60 | None | -9 | 21 | Human | 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 | 3234 | 60 | None | -9 | 21 | Human | 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 | 3234 | 60 | None | -9 | 21 | Human | 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 | 3234 | 60 | None | -9 | 21 | Human | 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 | 3234 | 60 | None | -9 | 21 | Human | 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 | ||
150 | 2473 | 18 | None | -45 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
1764 | 2473 | 18 | None | -45 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
8226 | 2473 | 18 | None | -45 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
CHEMBL1201356 | 2473 | 18 | None | -45 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
DB00353 | 2473 | 18 | None | -45 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
6726 | 1254 | 46 | None | -10 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
7151 | 1254 | 46 | None | -10 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
749 | 1254 | 46 | None | -10 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
CHEMBL648 | 1254 | 46 | None | -10 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
DB01176 | 1254 | 46 | None | -10 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
1222 | 1634 | 44 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3396 | 1634 | 44 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
85 | 1634 | 44 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL46516 | 1634 | 44 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
DB04842 | 1634 | 44 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
6075 | 149575 | 36 | None | -11 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
CHEMBL395110 | 149575 | 36 | None | -11 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
3584 | 3718 | 60 | None | -251 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
5401 | 3718 | 60 | None | -251 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
7302 | 3718 | 60 | None | -251 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
CHEMBL611 | 3718 | 60 | None | -251 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
DB01162 | 3718 | 60 | None | -251 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
66265 | 93579 | 12 | 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 | 93579 | 12 | 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 | ||
2801 | 161325 | 56 | None | -14 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL1200710 | 161325 | 56 | None | -14 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL415 | 161325 | 56 | None | -14 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
4735 | 193445 | 92 | None | -9 | 10 | Human | 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 | 193445 | 92 | None | -9 | 10 | Human | 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 | 193445 | 92 | None | -9 | 10 | Human | 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 | ||
1225 | 1443 | 24 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
3958 | 1443 | 24 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
667477 | 1443 | 24 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
CHEMBL860 | 1443 | 24 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
DB01142 | 1443 | 24 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
2865 | 4079 | 67 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4079 | 67 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4079 | 67 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4079 | 67 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4079 | 67 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
41 | 1629 | 0 | 3H-RX821002 | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
72036 | 1629 | 0 | 3H-RX821002 | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
CHEMBL1765294 | 1629 | 0 | 3H-RX821002 | -5 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
2142 | 3047 | 54 | 3H-PRAZOSIN | -2 | 36 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | 3H-PRAZOSIN | -2 | 36 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | 3H-PRAZOSIN | -2 | 36 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | 3H-PRAZOSIN | -2 | 36 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | 3H-PRAZOSIN | -2 | 36 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | 3H-PRAZOSIN | -2 | 36 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
102 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.2 | pKi | = | 8.2 | 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 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.2 | pKi | = | 8.2 | 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 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.2 | pKi | = | 8.2 | 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 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.2 | pKi | = | 8.2 | 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 | 4064 | 44 | 3H-RX821002 | -5 | 49 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
191 | 399 | 92 | None | -41 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
201 | 399 | 92 | None | -41 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
2170 | 399 | 92 | None | -41 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
CHEMBL1113 | 399 | 92 | None | -41 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
DB00543 | 399 | 92 | None | -41 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
3561 | 18886 | 34 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | ||
CHEMBL1289 | 18886 | 34 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | ||
4098 | 32289 | 24 | None | -13 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
CHEMBL1255739 | 32289 | 24 | None | -13 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
CHEMBL1411979 | 32289 | 24 | None | -13 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
164512323 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
441383 | 20133 | 54 | None | -2 | 17 | Human | 8.2 | pKi | = | 8.2 | 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 | 20133 | 54 | None | -2 | 17 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
1548955 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
2800 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
CHEMBL2355051 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
135398745 | 2869 | 108 | None | -93 | 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 | 2869 | 108 | None | -93 | 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 | 2869 | 108 | None | -93 | 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 | 2869 | 108 | None | -93 | 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 | ||
1212 | 1632 | 45 | None | -165 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | None | -165 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | None | -165 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | None | -165 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | None | -165 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3389 | 215982 | 0 | None | -1 | 26 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
46780481 | 107045 | 18 | 3H-RAUWOLSCINE | -47 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107045 | 18 | 3H-RAUWOLSCINE | -47 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107045 | 18 | 3H-RAUWOLSCINE | -47 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107045 | 18 | 3H-RAUWOLSCINE | -47 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
3191 | 102385 | 93 | None | -8 | 25 | Human | 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 | 102385 | 93 | None | -8 | 25 | Human | 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 | ||
1028 | 287 | 69 | None | -30 | 29 | 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 | 287 | 69 | None | -30 | 29 | 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 | 287 | 69 | None | -30 | 29 | 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 | 287 | 69 | None | -30 | 29 | 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 | 287 | 69 | None | -30 | 29 | 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 | 287 | 69 | None | -30 | 29 | 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 | ||
4543 | 169982 | 36 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL1201156 | 169982 | 36 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL445 | 169982 | 36 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
162265 | 200587 | 19 | None | -12 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 200587 | 19 | None | -12 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 200587 | 19 | None | -12 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
213 | 3792 | 50 | None | -6 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3792 | 50 | None | -6 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3792 | 50 | None | -6 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3792 | 50 | None | -6 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3792 | 50 | None | -6 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2286 | 3134 | 48 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
4927 | 3134 | 48 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
7282 | 3134 | 48 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
CHEMBL643 | 3134 | 48 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
DB01069 | 3134 | 48 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
2695 | 3780 | 76 | None | -9 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
5504 | 3780 | 76 | None | -9 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
7310 | 3780 | 76 | None | -9 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
CHEMBL770 | 3780 | 76 | None | -9 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
DB00797 | 3780 | 76 | None | -9 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
2162 | 41273 | 97 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
CHEMBL1491 | 41273 | 97 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
12488 | 1627 | 51 | None | -6 | 23 | Human | 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 | 1627 | 51 | None | -6 | 23 | Human | 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 | 1627 | 51 | None | -6 | 23 | Human | 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 | 1627 | 51 | None | -6 | 23 | Human | 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 | ||
2520 | 202310 | 65 | None | -6 | 11 | Human | 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 | 202310 | 65 | None | -6 | 11 | Human | 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 | 202310 | 65 | None | -6 | 11 | Human | 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 | ||
4209 | 3114 | 71 | None | -3235 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | None | -3235 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | None | -3235 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | None | -3235 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | None | -3235 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | None | -3235 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
1201549 | 590 | 22 | None | -33 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
333 | 590 | 22 | None | -33 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
7601 | 590 | 22 | None | -33 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
CHEMBL1201203 | 590 | 22 | None | -33 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
CHEMBL438151 | 590 | 22 | None | -33 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
DB00245 | 590 | 22 | None | -33 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
103 | 4089 | 56 | None | -54 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4089 | 56 | None | -54 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4089 | 56 | None | -54 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4089 | 56 | None | -54 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4089 | 56 | None | -54 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
11057 | 175575 | 19 | None | -1 | 20 | Human | 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 | 175575 | 19 | None | -1 | 20 | Human | 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 | 175575 | 19 | None | -1 | 20 | Human | 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 | 175575 | 19 | None | -1 | 20 | Human | 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 | ||
1547484 | 927 | 70 | None | -5 | 20 | Human | 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 | 927 | 70 | None | -5 | 20 | Human | 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 | 927 | 70 | None | -5 | 20 | Human | 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 | 927 | 70 | None | -5 | 20 | Human | 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 | 927 | 70 | None | -5 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
3294 | 1975 | 106 | None | -47 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1975 | 106 | None | -47 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1975 | 106 | None | -47 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1975 | 106 | None | -47 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1975 | 106 | None | -47 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
12574 | 2567 | 84 | None | -4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
4810 | 2567 | 84 | None | -4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
CHEMBL19236 | 2567 | 84 | None | -4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
DB09242 | 2567 | 84 | None | -4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
1613 | 2316 | 44 | None | -7 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | None | -7 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | None | -7 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | None | -7 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | None | -7 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
15387 | 214209 | 0 | None | -1 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F | None | ||
5472 | 204104 | 69 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
CHEMBL1717 | 204104 | 69 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
CHEMBL833 | 204104 | 69 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
100 | 3745 | 52 | None | -33 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | None | -33 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | None | -33 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | None | -33 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | None | -33 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
180 | 397 | 50 | None | -58 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
200 | 397 | 50 | None | -58 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2160 | 397 | 50 | None | -58 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
CHEMBL629 | 397 | 50 | None | -58 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
DB00321 | 397 | 50 | None | -58 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2284 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
4926 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
7281 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
CHEMBL564 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
DB00420 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
228 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
33 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
6005 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
CHEMBL53 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
DB00714 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
104870 | 98423 | 39 | None | -2 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98423 | 39 | None | -2 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98423 | 39 | None | -2 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
68617 | 203816 | 60 | None | -3 | 25 | Human | 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 | 203816 | 60 | None | -3 | 25 | Human | 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 | 203816 | 60 | None | -3 | 25 | Human | 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 | ||
4209 | 3114 | 71 | None | -173 | 33 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | None | -173 | 33 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | None | -173 | 33 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | None | -173 | 33 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | None | -173 | 33 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | None | -173 | 33 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
277 | 1274 | 55 | None | -33 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1274 | 55 | None | -33 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1274 | 55 | None | -33 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1274 | 55 | None | -33 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1274 | 55 | None | -33 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
15897 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2817 | 0 | 3H-CLONIDINE | -134 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
2803 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
2803 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 35S-GTPGammaS | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 35S-GTPGammaS | -3 | 19 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
102 | 4064 | 44 | 35S-GTPGammaS | -154 | 49 | Mouse | 7.2 | pKi | = | 7.2 | 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 | 4064 | 44 | 35S-GTPGammaS | -154 | 49 | Mouse | 7.2 | pKi | = | 7.2 | 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 | 4064 | 44 | 35S-GTPGammaS | -154 | 49 | Mouse | 7.2 | pKi | = | 7.2 | 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 | 4064 | 44 | 35S-GTPGammaS | -154 | 49 | Mouse | 7.2 | pKi | = | 7.2 | 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 | 4064 | 44 | 35S-GTPGammaS | -154 | 49 | Mouse | 7.2 | pKi | = | 7.2 | 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 | ||
2683 | 3774 | 57 | 3H-RAUWOLSCINE | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
5487 | 3774 | 57 | 3H-RAUWOLSCINE | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
7308 | 3774 | 57 | 3H-RAUWOLSCINE | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
CHEMBL1079 | 3774 | 57 | 3H-RAUWOLSCINE | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
DB00697 | 3774 | 57 | 3H-RAUWOLSCINE | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
102 | 4064 | 44 | 3H-PRAZOSIN | -158 | 49 | Rat | 7.2 | pKi | = | 7.2 | 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 | 4064 | 44 | 3H-PRAZOSIN | -158 | 49 | Rat | 7.2 | pKi | = | 7.2 | 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 | 4064 | 44 | 3H-PRAZOSIN | -158 | 49 | Rat | 7.2 | pKi | = | 7.2 | 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 | 4064 | 44 | 3H-PRAZOSIN | -158 | 49 | Rat | 7.2 | pKi | = | 7.2 | 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 | 4064 | 44 | 3H-PRAZOSIN | -158 | 49 | Rat | 7.2 | pKi | = | 7.2 | 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 | ||
2726 | 906 | 64 | 3H-RX821002 | -38 | 72 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-RX821002 | -38 | 72 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-RX821002 | -38 | 72 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-RX821002 | -38 | 72 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-RX821002 | -38 | 72 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2435 | 3533 | 78 | 3H-CLONIDINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
2435 | 3533 | 78 | 3H-RAUWOLSCINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3533 | 78 | 3H-CLONIDINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3533 | 78 | 3H-RAUWOLSCINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3533 | 78 | 3H-CLONIDINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3533 | 78 | 3H-RAUWOLSCINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3533 | 78 | 3H-CLONIDINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3533 | 78 | 3H-RAUWOLSCINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3533 | 78 | 3H-CLONIDINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3533 | 78 | 3H-RAUWOLSCINE | -123 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
1028 | 287 | 69 | 3H-Yohimbine | -120 | 29 | Pig | 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 | 287 | 69 | 3H-Yohimbine | -120 | 29 | Pig | 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 | 287 | 69 | 3H-Yohimbine | -120 | 29 | Pig | 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 | 287 | 69 | 3H-Yohimbine | -120 | 29 | Pig | 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 | 287 | 69 | 3H-Yohimbine | -120 | 29 | Pig | 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 | 287 | 69 | 3H-Yohimbine | -120 | 29 | Pig | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
214 | 3799 | 52 | 3H-CLONIDINE | -75 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
2740 | 3799 | 52 | 3H-CLONIDINE | -75 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
5566 | 3799 | 52 | 3H-CLONIDINE | -75 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
66064 | 3799 | 52 | 3H-CLONIDINE | -75 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL422 | 3799 | 52 | 3H-CLONIDINE | -75 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00831 | 3799 | 52 | 3H-CLONIDINE | -75 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
None | 214574 | 0 | 3H-CLONIDINE | -8 | 40 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
2202 | 3083 | 91 | None | -1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3083 | 91 | None | -1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3083 | 91 | None | -1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3083 | 91 | None | -1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3083 | 91 | None | -1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
212 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | 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 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | 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 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | 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 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | 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 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
242 | 467 | 117 | None | -26 | 51 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 467 | 117 | None | -26 | 51 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 467 | 117 | None | -26 | 51 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 467 | 117 | None | -26 | 51 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 467 | 117 | None | -26 | 51 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
135398737 | 944 | 89 | None | -26 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | None | -26 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | None | -26 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | None | -26 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | None | -26 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
26987 | 936 | 29 | None | -158 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
6063 | 936 | 29 | None | -158 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
671 | 936 | 29 | None | -158 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
CHEMBL1626 | 936 | 29 | None | -158 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
DB00283 | 936 | 29 | None | -158 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
1960 | 2815 | 64 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
439260 | 2815 | 64 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
505 | 2815 | 64 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL1437 | 2815 | 64 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00368 | 2815 | 64 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
2274 | 3124 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4917 | 3124 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
7279 | 3124 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
CHEMBL728 | 3124 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
DB00433 | 3124 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
124 | 2933 | 44 | 35S-GTPGammaS | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 35S-GTPGammaS | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 35S-GTPGammaS | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 35S-GTPGammaS | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 35S-GTPGammaS | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2105 | 3005 | 34 | None | -58 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3005 | 34 | None | -58 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3005 | 34 | None | -58 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3005 | 34 | None | -58 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3005 | 34 | None | -58 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
117590588 | 96077 | 34 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1447 | 13 | 19 | 25 | 0.1 | CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O | None | ||
14969 | 96077 | 34 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1447 | 13 | 19 | 25 | 0.1 | CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O | None | ||
CHEMBL262777 | 96077 | 34 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1447 | 13 | 19 | 25 | 0.1 | CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O | None | ||
102 | 4064 | 44 | None | -47 | 49 | Bovine | 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 | 4064 | 44 | None | -47 | 49 | Bovine | 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 | 4064 | 44 | None | -47 | 49 | Bovine | 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 | 4064 | 44 | None | -47 | 49 | Bovine | 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 | 4064 | 44 | None | -47 | 49 | Bovine | 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 | ||
213046 | 2353 | 55 | None | -12 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
4168 | 2353 | 55 | None | -12 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
7461 | 2353 | 55 | None | -12 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
CHEMBL1237021 | 2353 | 55 | None | -12 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
DB08815 | 2353 | 55 | None | -12 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
2585 | 790 | 100 | None | -28 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
522 | 790 | 100 | None | -28 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
551 | 790 | 100 | None | -28 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
CHEMBL723 | 790 | 100 | None | -28 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
DB01136 | 790 | 100 | None | -28 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
68712 | 99874 | 57 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
CHEMBL289480 | 99874 | 57 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
5524 | 214717 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | ||
240 | 931 | 39 | None | -3 | 25 | 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 | 931 | 39 | None | -3 | 25 | 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 | 931 | 39 | None | -3 | 25 | 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 | 931 | 39 | None | -3 | 25 | 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 | 931 | 39 | None | -3 | 25 | 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 | 931 | 39 | None | -3 | 25 | 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 | 931 | 39 | None | -3 | 25 | 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 | ||
2389 | 3279 | 114 | None | -35 | 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 | 3279 | 114 | None | -35 | 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 | 3279 | 114 | None | -35 | 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 | 3279 | 114 | None | -35 | 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 | 3279 | 114 | None | -35 | 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 | ||
6761 | 67457 | 17 | None | -6 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
CHEMBL1909072 | 67457 | 17 | None | -6 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
133 | 2460 | 48 | None | -23 | 42 | Human | 8.1 | pKi | = | 8.1 | 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 | 2460 | 48 | None | -23 | 42 | Human | 8.1 | pKi | = | 8.1 | 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 | 2460 | 48 | None | -23 | 42 | Human | 8.1 | pKi | = | 8.1 | 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 | 2460 | 48 | None | -23 | 42 | Human | 8.1 | pKi | = | 8.1 | 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 | 2460 | 48 | None | -23 | 42 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
124 | 2933 | 44 | None | -16 | 32 | Pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | None | -16 | 32 | Pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | None | -16 | 32 | Pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | None | -16 | 32 | Pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | None | -16 | 32 | Pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
11079 | 2693 | 59 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
3369 | 2693 | 59 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
4436 | 2693 | 59 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
5509 | 2693 | 59 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
CHEMBL761 | 2693 | 59 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
DB06711 | 2693 | 59 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
1816 | 2504 | 99 | None | -33 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
4205 | 2504 | 99 | None | -33 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
7241 | 2504 | 99 | None | -33 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
CHEMBL654 | 2504 | 99 | None | -33 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
DB00370 | 2504 | 99 | None | -33 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
135398737 | 944 | 89 | None | -10 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | None | -10 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | None | -10 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | None | -10 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | None | -10 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
931 | 214716 | 0 | 35S-GTPGammaS | -2 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 128 | 0 | 0 | 0 | 2.8 | C1=CC=C2C=CC=CC2=C1 | None | ||
135 | 2496 | 38 | None | -5 | 57 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | None | -5 | 57 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | None | -5 | 57 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | None | -5 | 57 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | None | -5 | 57 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
3952 | 1857 | 33 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5353646 | 1857 | 33 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5443 | 1857 | 33 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5702063 | 1857 | 33 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL1331786 | 1857 | 33 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL420 | 1857 | 33 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
11978813 | 713 | 72 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
5014 | 713 | 72 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
7672 | 713 | 72 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
CHEMBL2105760 | 713 | 72 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
DB09128 | 713 | 72 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
3658 | 4044 | 47 | None | -4 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
517 | 4044 | 47 | None | -4 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
5709 | 4044 | 47 | None | -4 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
CHEMBL312448 | 4044 | 47 | None | -4 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
DB06694 | 4044 | 47 | None | -4 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
10219 | 188210 | 30 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | 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 | 188210 | 30 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | 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 | 188210 | 30 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
129211 | 3692 | 75 | None | -120 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2562 | 3692 | 75 | None | -120 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
488 | 3692 | 75 | None | -120 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
CHEMBL836 | 3692 | 75 | None | -120 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
DB00706 | 3692 | 75 | None | -120 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
37 | 766 | 56 | None | -3 | 17 | Human | 8.1 | pKi | = | 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 | 766 | 56 | None | -3 | 17 | Human | 8.1 | pKi | = | 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 | 766 | 56 | None | -3 | 17 | Human | 8.1 | pKi | = | 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 | 766 | 56 | None | -3 | 17 | Human | 8.1 | pKi | = | 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 | 766 | 56 | None | -3 | 17 | Human | 8.1 | pKi | = | 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 | ||
115237 | 55296 | 113 | None | -8 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55296 | 113 | None | -8 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
2216 | 442 | 46 | 35S-GTPGammaS | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
229 | 442 | 46 | 35S-GTPGammaS | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
7117 | 442 | 46 | 35S-GTPGammaS | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
CHEMBL647 | 442 | 46 | 35S-GTPGammaS | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
DB00964 | 442 | 46 | 35S-GTPGammaS | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
41 | 1629 | 0 | 3H-MK912 | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
41 | 1629 | 0 | 3H-RX821002 | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
72036 | 1629 | 0 | 3H-MK912 | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
72036 | 1629 | 0 | 3H-RX821002 | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
CHEMBL1765294 | 1629 | 0 | 3H-MK912 | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
CHEMBL1765294 | 1629 | 0 | 3H-RX821002 | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
102 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.1 | pKi | = | 8.1 | 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 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.1 | pKi | = | 8.1 | 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 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.1 | pKi | = | 8.1 | 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 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.1 | pKi | = | 8.1 | 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 | 4064 | 44 | 3H-MK912 | -5 | 49 | Human | 8.1 | pKi | = | 8.1 | 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 | 214578 | 0 | 3H-CLONIDINE | 2 | 28 | Human | 6.1 | pKi | = | 6.1 | 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 | ||
68712 | 99874 | 57 | 35S-GTPGammaS | -9 | 5 | Mouse | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
CHEMBL289480 | 99874 | 57 | 35S-GTPGammaS | -9 | 5 | Mouse | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
None | 214366 | 0 | 3H-CLONIDINE | -724 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 772 | 16 | 4 | 10 | 5.5 | CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O | None | ||
213 | 3792 | 50 | 125I-Clonidine | -6 | 43 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3792 | 50 | 125I-Clonidine | -6 | 43 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3792 | 50 | 125I-Clonidine | -6 | 43 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3792 | 50 | 125I-Clonidine | -6 | 43 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3792 | 50 | 125I-Clonidine | -6 | 43 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
242 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
242 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 467 | 117 | 3H-CLONIDINE | -26 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
119570 | 3110 | 90 | 3H-CLONIDINE | -69 | 40 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3110 | 90 | 3H-CLONIDINE | -69 | 40 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3110 | 90 | 3H-CLONIDINE | -69 | 40 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3110 | 90 | 3H-CLONIDINE | -69 | 40 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3110 | 90 | 3H-CLONIDINE | -69 | 40 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2726 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-RAUWOLSCINE | -64 | 72 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
135398737 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-RAUWOLSCINE | -26 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
11954259 | 214201 | 0 | 3H-CLONIDINE | -263 | 43 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
4209 | 3114 | 71 | 35S-GTPGammaS | -3235 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 35S-GTPGammaS | -3235 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 35S-GTPGammaS | -3235 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 35S-GTPGammaS | -3235 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 35S-GTPGammaS | -3235 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 35S-GTPGammaS | -3235 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
31101 | 720 | 39 | None | -12 | 35 | Human | 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 | 720 | 39 | None | -12 | 35 | Human | 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 | 720 | 39 | None | -12 | 35 | Human | 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 | 720 | 39 | None | -12 | 35 | Human | 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 | 720 | 39 | None | -12 | 35 | Human | 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 | ||
2389 | 3279 | 114 | None | -69 | 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 | 3279 | 114 | None | -69 | 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 | 3279 | 114 | None | -69 | 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 | 3279 | 114 | None | -69 | 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 | 3279 | 114 | None | -69 | 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 | ||
12575 | 1957 | 28 | UNDEFINED | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
54459 | 1957 | 28 | UNDEFINED | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
CHEMBL10316 | 1957 | 28 | UNDEFINED | -5 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
1209 | 1628 | 69 | None | -1 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
203 | 1628 | 69 | None | -1 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
3386 | 1628 | 69 | None | -1 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
CHEMBL41 | 1628 | 69 | None | -1 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
DB00472 | 1628 | 69 | None | -1 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
5268 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3599 | 34 | 3H-RAUWOLSCINE | -60 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
135 | 2496 | 38 | None | -4 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | None | -4 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | None | -4 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | None | -4 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | None | -4 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
2142 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | ||
102 | 4064 | 44 | None | -15 | 49 | Pig | 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 | 4064 | 44 | None | -15 | 49 | Pig | 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 | 4064 | 44 | None | -15 | 49 | Pig | 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 | 4064 | 44 | None | -15 | 49 | Pig | 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 | 4064 | 44 | None | -15 | 49 | Pig | 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 | ||
1593 | 2308 | 60 | None | 5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
30668 | 2308 | 60 | None | 5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
9868 | 2308 | 60 | None | 5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
CHEMBL17860 | 2308 | 60 | None | 5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
DB04948 | 2308 | 60 | None | 5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
134551 | 355 | 25 | None | -3 | 21 | Human | 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 | 355 | 25 | None | -3 | 21 | Human | 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 | 355 | 25 | None | -3 | 21 | Human | 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 | 355 | 25 | None | -3 | 21 | Human | 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 | ||
2216 | 442 | 46 | None | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
229 | 442 | 46 | None | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
7117 | 442 | 46 | None | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
CHEMBL647 | 442 | 46 | None | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
DB00964 | 442 | 46 | None | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
None | 214264 | 0 | 3H-RAUWOLSCINE | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 200 | 3 | 1 | 1 | 2.8 | CC1=C(C(=CC=C1)C)CCC2=CN=CN2 | None | ||
2142 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | 3047 | 54 | None | -2 | 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 | ||
124 | 2933 | 44 | None | -5 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | None | -5 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | None | -5 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | None | -5 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | None | -5 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
164512323 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 214260 | 0 | 3H-RAUWOLSCINE | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
11954259 | 214201 | 0 | 3H-CLONIDINE | -263 | 43 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
3337 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
65801 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
66264 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
91452 | 214441 | 0 | 3H-CLONIDINE | -27 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
209 | 3008 | 94 | 3H-CLONIDINE | -100 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2113 | 3008 | 94 | 3H-CLONIDINE | -100 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4748 | 3008 | 94 | 3H-CLONIDINE | -100 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
CHEMBL567 | 3008 | 94 | 3H-CLONIDINE | -100 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
DB00850 | 3008 | 94 | 3H-CLONIDINE | -100 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2803 | 941 | 53 | 3H-Yohimbine | -5 | 19 | Pig | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 3H-Yohimbine | -5 | 19 | Pig | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 3H-Yohimbine | -5 | 19 | Pig | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 3H-Yohimbine | -5 | 19 | Pig | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 3H-Yohimbine | -5 | 19 | Pig | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
11293787 | 147681 | 0 | UNDEFINED | -77 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | None | ||
CHEMBL393597 | 147681 | 0 | UNDEFINED | -77 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | None | ||
2181 | 3079 | 0 | 3H-RAUWOLSCINE | -11 | 34 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
4830 | 3079 | 0 | 3H-RAUWOLSCINE | -11 | 34 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
92 | 3079 | 0 | 3H-RAUWOLSCINE | -11 | 34 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
CHEMBL440294 | 3079 | 0 | 3H-RAUWOLSCINE | -11 | 34 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
DB09286 | 3079 | 0 | 3H-RAUWOLSCINE | -11 | 34 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
2202 | 3083 | 91 | 3H-RX821002 | -1 | 21 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3083 | 91 | 3H-RX821002 | -1 | 21 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3083 | 91 | 3H-RX821002 | -1 | 21 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3083 | 91 | 3H-RX821002 | -1 | 21 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3083 | 91 | 3H-RX821002 | -1 | 21 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
None | 214579 | 0 | UNDEFINED | -8 | 28 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
2142 | 3047 | 54 | None | 1 | 36 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | None | 1 | 36 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | None | 1 | 36 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | None | 1 | 36 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | None | 1 | 36 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | None | 1 | 36 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
11954224 | 214174 | 0 | None | -446 | 59 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
107715 | 199260 | 18 | None | -6 | 20 | Human | 8.0 | pKi | = | 8.0 | 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 | 199260 | 18 | None | -6 | 20 | Human | 8.0 | pKi | = | 8.0 | 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 | 199260 | 18 | None | -6 | 20 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
931 | 214716 | 0 | 35S-GTPGammaS | -2 | 4 | Mouse | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 128 | 0 | 0 | 0 | 2.8 | C1=CC=C2C=CC=CC2=C1 | None | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.0 | pKi | = | 8.0 | 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 | 4064 | 44 | None | -5 | 49 | Human | 8.0 | pKi | = | 8.0 | 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 | 4064 | 44 | None | -5 | 49 | Human | 8.0 | pKi | = | 8.0 | 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 | 4064 | 44 | None | -5 | 49 | Human | 8.0 | pKi | = | 8.0 | 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 | 4064 | 44 | None | -5 | 49 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
2803 | 941 | 53 | None | 1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | None | 1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | None | 1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | None | 1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | None | 1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
10531 | 1392 | 18 | None | -5 | 24 | Human | 8.0 | pKi | = | 8.0 | 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 | 1392 | 18 | None | -5 | 24 | Human | 8.0 | pKi | = | 8.0 | 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 | 1392 | 18 | None | -5 | 24 | Human | 8.0 | pKi | = | 8.0 | 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 | 1392 | 18 | None | -5 | 24 | Human | 8.0 | pKi | = | 8.0 | 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 | 1392 | 18 | None | -5 | 24 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
2601 | 3721 | 30 | None | -1 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | 3721 | 30 | None | -1 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | 3721 | 30 | None | -1 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | 3721 | 30 | None | -1 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | 3721 | 30 | None | -1 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
124 | 2933 | 44 | 3H-MK912 | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 3H-MK912 | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 3H-MK912 | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 3H-MK912 | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 3H-MK912 | -4 | 32 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
12575 | 1957 | 28 | 35S-GTPGammaS | -5 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
54459 | 1957 | 28 | 35S-GTPGammaS | -5 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
CHEMBL10316 | 1957 | 28 | 35S-GTPGammaS | -5 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
1588 | 2294 | 24 | None | 2 | 43 | Human | 8.0 | pKi | = | 8 | 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 | 2294 | 24 | None | 2 | 43 | Human | 8.0 | pKi | = | 8 | 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 | 2294 | 24 | None | 2 | 43 | Human | 8.0 | pKi | = | 8 | 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 | 2294 | 24 | None | 2 | 43 | Human | 8.0 | pKi | = | 8 | 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 | 2294 | 24 | None | 2 | 43 | Human | 8.0 | pKi | = | 8 | 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 | ||
1576 | 214575 | 0 | 3H-CLONIDINE | -15 | 40 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
1343 | 1858 | 55 | 35S-GTPGammaS | -9 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1858 | 55 | 35S-GTPGammaS | -9 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1858 | 55 | 35S-GTPGammaS | -9 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1858 | 55 | 35S-GTPGammaS | -9 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1858 | 55 | 35S-GTPGammaS | -9 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
None | 214579 | 0 | 3H-CLONIDINE | -8 | 28 | Human | 5.0 | pKi | = | 5.0 | 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 | ||
21830793 | 91403 | 5 | 3H-8-OH-DPAT | -630 | 46 | Bovine | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
CHEMBL2413154 | 91403 | 5 | 3H-8-OH-DPAT | -630 | 46 | Bovine | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
None | 214265 | 0 | 3H-RAUWOLSCINE | -16 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 334 | 4 | 1 | 4 | 4.6 | CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl | None | ||
484 | 2814 | 45 | 3H-RAUWOLSCINE | -9 | 35 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 3H-RAUWOLSCINE | -9 | 35 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 3H-RAUWOLSCINE | -9 | 35 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
1593 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
30668 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
9868 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
CHEMBL17860 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
DB04948 | 2308 | 60 | None | 5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
1816 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
4205 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
7241 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
CHEMBL654 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
DB00370 | 2504 | 99 | None | -33 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
2695 | 3780 | 76 | None | -9 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
5504 | 3780 | 76 | None | -9 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
7310 | 3780 | 76 | None | -9 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
CHEMBL770 | 3780 | 76 | None | -9 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
DB00797 | 3780 | 76 | None | -9 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
174174 | 519 | 46 | None | -43651 | 14 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 29860464 | ||
260 | 519 | 46 | None | -43651 | 14 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 29860464 | ||
320 | 519 | 46 | None | -43651 | 14 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 29860464 | ||
CHEMBL517712 | 519 | 46 | None | -43651 | 14 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 29860464 | ||
DB00572 | 519 | 46 | None | -43651 | 14 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 29860464 | ||
1960 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
1960 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
1960 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
439260 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
439260 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
439260 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
505 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
505 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
505 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
CHEMBL1437 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
CHEMBL1437 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
CHEMBL1437 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
DB00368 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
DB00368 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
DB00368 | 2815 | 64 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
1028 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
1028 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
1028 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
139148732 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
139148732 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
139148732 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
479 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
479 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
479 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
5816 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
5816 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
5816 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
CHEMBL679 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
CHEMBL679 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
CHEMBL679 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
DB00668 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
DB00668 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
DB00668 | 287 | 69 | None | -30 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
1343 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
1343 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9283709 | ||
1343 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
3519 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
3519 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9283709 | ||
3519 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
522 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
522 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9283709 | ||
522 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
CHEMBL862 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
CHEMBL862 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9283709 | ||
CHEMBL862 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
DB01018 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
DB01018 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9283709 | ||
DB01018 | 1858 | 55 | None | -9 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
12575 | 1957 | 28 | None | -5 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
54459 | 1957 | 28 | None | -5 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
CHEMBL10316 | 1957 | 28 | None | -5 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
213046 | 2353 | 55 | None | -12 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
4168 | 2353 | 55 | None | -12 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
7461 | 2353 | 55 | None | -12 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
CHEMBL1237021 | 2353 | 55 | None | -12 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
DB08815 | 2353 | 55 | None | -12 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
2435 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
395 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
395 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
395 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
395 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
395 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
520 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
520 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
520 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
520 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
520 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
5386 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
CHEMBL844 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
DB00484 | 714 | 98 | None | -4 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
2803 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
516 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
704 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
CHEMBL134 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
DB00575 | 941 | 53 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9227000 | ||
124 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9227000 | ||
2032 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9227000 | ||
4636 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9227000 | ||
CHEMBL762 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9227000 | ||
DB00935 | 2933 | 44 | None | -4 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
313 | 2652 | 0 | None | -2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 29860464 | ||||
121850 | 717 | 0 | None | 38 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 2573535 | ||
121850 | 717 | 0 | None | 38 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
525 | 717 | 0 | None | 38 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 2573535 | ||
525 | 717 | 0 | None | 38 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
CHEMBL216097 | 717 | 0 | None | 38 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 2573535 | ||
CHEMBL216097 | 717 | 0 | None | 38 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
2216 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
229 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
7117 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
CHEMBL647 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
DB00964 | 442 | 46 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
12576 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
71310 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
CHEMBL353972 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
DB11481 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
521 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
521 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9227000 | ||
521 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
521 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
521 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
5311068 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
5311068 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9227000 | ||
5311068 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
5311068 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
5311068 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
835 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
835 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9227000 | ||
835 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
835 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
835 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
CHEMBL778 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
CHEMBL778 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9227000 | ||
CHEMBL778 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
CHEMBL778 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
CHEMBL778 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
DB00633 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
DB00633 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9227000 | ||
DB00633 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
DB00633 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
DB00633 | 1377 | 64 | None | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
108094 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
108094 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
526 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
526 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
528 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
528 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
CHEMBL10332 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
CHEMBL10332 | 3368 | 22 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7908642 | ||
102 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7908642 | ||
3659 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7908642 | ||
8969 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7908642 | ||
CHEMBL15245 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 1353247 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7908642 | ||
DB01392 | 4064 | 44 | None | -5 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
2995 | 202700 | 49 | None | -12 | 22 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL1696 | 202700 | 49 | None | -12 | 22 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL72 | 202700 | 49 | None | -12 | 22 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
179 | 396 | 107 | None | -35 | 50 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 396 | 107 | None | -35 | 50 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 396 | 107 | None | -35 | 50 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 396 | 107 | None | -35 | 50 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 396 | 107 | None | -35 | 50 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
3337 | 214441 | 0 | None | -27 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
65801 | 214441 | 0 | None | -27 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
66264 | 214441 | 0 | None | -27 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
91452 | 214441 | 0 | None | -27 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
119570 | 3110 | 90 | None | -69 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3110 | 90 | None | -69 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3110 | 90 | None | -69 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3110 | 90 | None | -69 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3110 | 90 | None | -69 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
46780481 | 107045 | 18 | None | -47 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107045 | 18 | None | -47 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107045 | 18 | None | -47 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107045 | 18 | None | -47 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
1588 | 2294 | 24 | None | 2 | 43 | Human | 10.3 | pKi | None | 10.3 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
28864 | 2294 | 24 | None | 2 | 43 | Human | 10.3 | pKi | None | 10.3 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
43 | 2294 | 24 | None | 2 | 43 | Human | 10.3 | pKi | None | 10.3 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
CHEMBL157138 | 2294 | 24 | None | 2 | 43 | Human | 10.3 | pKi | None | 10.3 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
DB00589 | 2294 | 24 | None | 2 | 43 | Human | 10.3 | pKi | None | 10.3 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
523 | 4043 | 90 | None | -1 | 5 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
5707 | 4043 | 90 | None | -1 | 5 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
CHEMBL297362 | 4043 | 90 | None | -1 | 5 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
DB11477 | 4043 | 90 | None | -1 | 5 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
4209 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
4209 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
4209 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
4893 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
4893 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
4893 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
503 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
503 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
503 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
5385 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
5385 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
5385 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
CHEMBL2 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
CHEMBL2 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
CHEMBL2 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
DB00457 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
DB00457 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
DB00457 | 3114 | 71 | None | -3235 | 33 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
122211 | 458 | 0 | None | -239 | 6 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 1353247 | ||
122211 | 458 | 0 | None | -239 | 6 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7908642 | ||
122211 | 458 | 0 | None | -239 | 6 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7996470 | ||
524 | 458 | 0 | None | -239 | 6 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 1353247 | ||
524 | 458 | 0 | None | -239 | 6 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7908642 | ||
524 | 458 | 0 | None | -239 | 6 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7996470 | ||
2726 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
2726 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
621 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
621 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
83 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
83 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
CHEMBL71 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
CHEMBL71 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
DB00477 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
DB00477 | 906 | 64 | None | -64 | 72 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
228 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
33 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
6005 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
CHEMBL53 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
DB00714 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
2202 | 3083 | 91 | None | -1 | 21 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
4850 | 3083 | 91 | None | -1 | 21 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
49 | 3083 | 91 | None | -1 | 21 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
CHEMBL1371770 | 3083 | 91 | None | -1 | 21 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
DB12478 | 3083 | 91 | None | -1 | 21 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
2105 | 3005 | 34 | None | -58 | 33 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
47811 | 3005 | 34 | None | -58 | 33 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
48 | 3005 | 34 | None | -58 | 33 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
CHEMBL531 | 3005 | 34 | None | -58 | 33 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
DB01186 | 3005 | 34 | None | -58 | 33 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
5268 | 3599 | 34 | None | -60 | 17 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
53 | 3599 | 34 | None | -60 | 17 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
CHEMBL300555 | 3599 | 34 | None | -60 | 17 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
37 | 766 | 56 | None | -3 | 17 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
460 | 766 | 56 | None | -3 | 17 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
54746 | 766 | 56 | None | -3 | 17 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
CHEMBL1201087 | 766 | 56 | None | -3 | 17 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
DB00248 | 766 | 56 | None | -3 | 17 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
31101 | 720 | 39 | None | -12 | 35 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
35 | 720 | 39 | None | -12 | 35 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
403 | 720 | 39 | None | -12 | 35 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
CHEMBL493 | 720 | 39 | None | -12 | 35 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
DB01200 | 720 | 39 | None | -12 | 35 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
499 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
499 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
499 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
5685 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
5685 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
5685 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
CHEMBL25554 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
CHEMBL25554 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
CHEMBL25554 | 4014 | 15 | None | -16 | 15 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
2142 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
2142 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
4920903 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
4920903 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
502 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
502 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
5775 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
5775 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
CHEMBL597 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
CHEMBL597 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
DB00692 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
DB00692 | 3047 | 54 | None | -2 | 36 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
136 | 3240 | 28 | None | -3 | 16 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
223 | 3240 | 28 | None | -3 | 16 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
643606 | 3240 | 28 | None | -3 | 16 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
CHEMBL10347 | 3240 | 28 | None | -3 | 16 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 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 | 7996470 | ||
2601 | 3721 | 30 | None | -1 | 21 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
443951 | 3721 | 30 | None | -1 | 21 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
56 | 3721 | 30 | None | -1 | 21 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
CHEMBL73151 | 3721 | 30 | None | -1 | 21 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 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 | 12388666 | ||
DB13399 | 3721 | 30 | None | -1 | 21 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 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 | 12388666 |