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 |
| 168288485 | 191135 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5197201 | 191135 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471936 | 190899 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 482 | 8 | 2 | 4 | 5.5 | Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5193727 | 190899 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 482 | 8 | 2 | 4 | 5.5 | Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 168296886 | 191909 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5209180 | 191909 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 168272821 | 190000 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/D1MD00044F | ||
| CHEMBL5180543 | 190000 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/D1MD00044F | ||
| 142471848 | 190673 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5190457 | 190673 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 86293506 | 118314 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)n1 | 10.1021/ml500538a | ||
| CHEMBL3421842 | 118314 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)n1 | 10.1021/ml500538a | ||
| 86294248 | 118315 | 1 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 298 | 3 | 2 | 4 | 1.4 | Cn1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc21 | 10.1021/ml500538a | ||
| CHEMBL3421843 | 118315 | 1 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 298 | 3 | 2 | 4 | 1.4 | Cn1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc21 | 10.1021/ml500538a | ||
| 168280914 | 190208 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5183772 | 190208 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471730 | 189791 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 464 | 8 | 2 | 4 | 5.3 | FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5177487 | 189791 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 464 | 8 | 2 | 4 | 5.3 | FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471832 | 189681 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5175637 | 189681 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 168279197 | 190338 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5185547 | 190338 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 168272497 | 189639 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 448 | 8 | 2 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5174969 | 189639 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 448 | 8 | 2 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 168275406 | 189713 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5176083 | 189713 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 142471801 | 191701 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 494 | 9 | 2 | 5 | 5.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5206148 | 191701 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 494 | 9 | 2 | 5 | 5.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 86292350 | 118316 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 303 | 3 | 2 | 4 | 1.8 | CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@H]21)c1noc2c(F)cccc12 | 10.1021/ml500538a | ||
| CHEMBL3421844 | 118316 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 303 | 3 | 2 | 4 | 1.8 | CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@H]21)c1noc2c(F)cccc12 | 10.1021/ml500538a | ||
| 142471891 | 190001 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5180551 | 190001 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 168279055 | 190646 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5190056 | 190646 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471929 | 190573 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5188841 | 190573 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 168271257 | 189920 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5179456 | 189920 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 142471719 | 189908 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 492 | 9 | 1 | 5 | 5.5 | Cn1cc(CCc2nnc(Cc3cccc(C(F)(F)F)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| CHEMBL5179321 | 189908 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 492 | 9 | 1 | 5 | 5.5 | Cn1cc(CCc2nnc(Cc3cccc(C(F)(F)F)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| 168271446 | 190011 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 4.2 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5180752 | 190011 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 4.2 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 168286554 | 190809 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 324 | 6 | 2 | 4 | 2.8 | Fc1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5192578 | 190809 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 324 | 6 | 2 | 4 | 2.8 | Fc1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 168283125 | 190483 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 441 | 9 | 2 | 4 | 5.2 | NCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5187484 | 190483 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 441 | 9 | 2 | 4 | 5.2 | NCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1 | 10.1039/D1MD00044F | ||
| 142471692 | 191784 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5207543 | 191784 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471938 | 191410 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 410 | 9 | 2 | 4 | 4.5 | c1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5201594 | 191410 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 410 | 9 | 2 | 4 | 4.5 | c1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 168295000 | 191874 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5208764 | 191874 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471828 | 191474 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1cc(Cl)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5202717 | 191474 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1cc(Cl)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471846 | 190735 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5191532 | 190735 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 142471682 | 190918 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5193951 | 190918 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471978 | 191845 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 4.3 | c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5208396 | 191845 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 4.3 | c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 168275268 | 189565 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4cc(Cl)cc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5173784 | 189565 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4cc(Cl)cc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 168274800 | 189499 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5172814 | 189499 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471665 | 191111 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5196971 | 191111 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 142471860 | 191907 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 428 | 9 | 2 | 4 | 4.6 | Fc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5209165 | 191907 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 428 | 9 | 2 | 4 | 4.6 | Fc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471737 | 189710 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 492 | 9 | 1 | 5 | 5.8 | Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| CHEMBL5176020 | 189710 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 492 | 9 | 1 | 5 | 5.8 | Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| 142471923 | 191314 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 488 | 10 | 2 | 6 | 3.9 | CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5200112 | 191314 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 488 | 10 | 2 | 6 | 3.9 | CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471893 | 189733 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 516 | 12 | 2 | 5 | 6.1 | c1ccc(COc2cccc(Cc3nnc(CCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)c2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5176454 | 189733 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 516 | 12 | 2 | 5 | 6.1 | c1ccc(COc2cccc(Cc3nnc(CCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)c2)cc1 | 10.1039/D1MD00044F | ||
| 9893924 | 4680 | 27 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1039/C8MD00388B | ||
| CHEMBL103769 | 4680 | 27 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1039/C8MD00388B | ||
| 142471814 | 191564 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5203972 | 191564 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 168296234 | 191690 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5205998 | 191690 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 142471924 | 189800 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 432 | 8 | 2 | 4 | 4.6 | Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5177573 | 189800 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 432 | 8 | 2 | 4 | 4.6 | Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471678 | 189449 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5171935 | 189449 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 139392666 | 189608 | 0 | None | -16 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 430 | 3 | 2 | 5 | 4.3 | Cc1ccc(F)c2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12 | 10.1016/j.bmcl.2022.128807 | ||
| CHEMBL5174433 | 189608 | 0 | None | -16 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 430 | 3 | 2 | 5 | 4.3 | Cc1ccc(F)c2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12 | 10.1016/j.bmcl.2022.128807 | ||
| 117711399 | 118317 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 310 | 3 | 2 | 4 | 1.8 | Cc1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc2n1 | 10.1021/ml500538a | ||
| CHEMBL3421845 | 118317 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 310 | 3 | 2 | 4 | 1.8 | Cc1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc2n1 | 10.1021/ml500538a | ||
| 142471772 | 190584 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 488 | 9 | 2 | 4 | 5.3 | Brc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5189042 | 190584 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 488 | 9 | 2 | 4 | 5.3 | Brc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 168271928 | 189490 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 306 | 6 | 2 | 4 | 2.7 | c1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5172730 | 189490 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 306 | 6 | 2 | 4 | 2.7 | c1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 142471769 | 191189 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 456 | 10 | 2 | 6 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5198142 | 191189 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 456 | 10 | 2 | 6 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471961 | 190826 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 494 | 10 | 2 | 5 | 5.4 | FC(F)(F)Oc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5192791 | 190826 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 494 | 10 | 2 | 5 | 5.4 | FC(F)(F)Oc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471655 | 189831 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5178013 | 189831 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 142471841 | 190989 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5195145 | 190989 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 142471677 | 191352 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.5 | FC(F)(F)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5200786 | 191352 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.5 | FC(F)(F)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 139392804 | 191007 | 1 | None | -16 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 412 | 3 | 2 | 5 | 4.1 | Cc1cccc2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12 | 10.1016/j.bmcl.2022.128807 | ||
| CHEMBL5195355 | 191007 | 1 | None | -16 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 412 | 3 | 2 | 5 | 4.1 | Cc1cccc2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12 | 10.1016/j.bmcl.2022.128807 | ||
| 142471716 | 190896 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5193686 | 190896 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 56945132 | 170854 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/C8MD00388B | ||
| CHEMBL4462793 | 170854 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/C8MD00388B | ||
| 168283525 | 190493 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 439 | 8 | 2 | 5 | 4.3 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5187631 | 190493 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 439 | 8 | 2 | 5 | 4.3 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471684 | 190856 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5193172 | 190856 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471767 | 191684 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5205904 | 191684 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471768 | 191406 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 435 | 9 | 2 | 5 | 4.4 | N#Cc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5201540 | 191406 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 435 | 9 | 2 | 5 | 4.4 | N#Cc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471733 | 189971 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 394 | 7 | 2 | 4 | 4.4 | CC(C)(C)Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5180116 | 189971 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 394 | 7 | 2 | 4 | 4.4 | CC(C)(C)Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 142471896 | 190549 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 446 | 9 | 2 | 4 | 4.8 | Fc1cc(F)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5188361 | 190549 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 446 | 9 | 2 | 4 | 4.8 | Fc1cc(F)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 168297256 | 191813 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5208037 | 191813 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471703 | 191136 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 455 | 10 | 2 | 6 | 4.4 | O=[N+]([O-])c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5197218 | 191136 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 455 | 10 | 2 | 6 | 4.4 | O=[N+]([O-])c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 43594 | 215967 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 542 | 9 | 4 | 12 | -0.9 | O[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N2C1=O)C(O)=O)C1=CC=CC=C1 | None | ||
| 38103 | 215970 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 349 | 4 | 3 | 5 | 0.3 | CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O | None | ||
| 6024 | 201021 | 75 | None | 7244 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 396 | 6 | 2 | 7 | 0.6 | CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 | None | ||
| CHEMBL1632 | 201021 | 75 | None | 7244 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 396 | 6 | 2 | 7 | 0.6 | CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 | None | ||
| CHEMBL617 | 201021 | 75 | None | 7244 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 396 | 6 | 2 | 7 | 0.6 | CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 | None | ||
| 30699 | 215969 | 0 | None | -1 | 14 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 423 | 7 | 2 | 8 | 0.5 | CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O | None | ||
| 7763 | 406 | 0 | None | -380 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 18543899 | ||||
| 2027 | 648 | 0 | None | -63 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | None | None | None | None | 11897676 | ||||
| 2004 | 635 | 0 | None | -19 | 2 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| 8487 | 3917 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11145612 | ||||
| 9919857 | 3917 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11145612 | ||||
| DB12777 | 3917 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11145612 | ||||
| 2079 | 1883 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 14667212 | ||||
| 2080 | 1884 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 14667212 | ||||
| 2012 | 1348 | 0 | None | -1 | 4 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 15658864 | ||||
| 2013 | 2149 | 0 | None | -2 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 12450568 | ||||
| 2026 | 647 | 0 | None | -10 | 5 | Human | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 11897676 | ||||
| 2019 | 3618 | 0 | None | -79 | 4 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| 44386062 | 3618 | 0 | None | -79 | 4 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| CHEMBL440072 | 3618 | 0 | None | -79 | 4 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| 2081 | 1885 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 14667212 | ||||
| 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 |
| 124168080 | 181252 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 507 | 6 | 2 | 7 | 4.4 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4778342 | 181252 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 507 | 6 | 2 | 7 | 4.4 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762567 | 179697 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4750691 | 179697 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762500 | 181151 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 529 | 5 | 1 | 5 | 6.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4777122 | 181151 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 529 | 5 | 1 | 5 | 6.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762573 | 181795 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4785112 | 181795 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 162648021 | 179393 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4746816 | 179393 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm960850i | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm960850i | ||||
| CHEMBL262379 | 208793 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm049520l | ||||
| CHEMBL3350911 | 209783 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL415582 | 211442 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL2371100 | 208267 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL216992 | 207603 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL406816 | 210876 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||||
| CHEMBL1824055 | 207295 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL1824055 | 207295 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL1824055 | 207295 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL446380 | 212196 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL3350888 | 209765 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL3350888 | 209765 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350886 | 209763 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350908 | 209781 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@@H](c1c[nH]c2ccccc12)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3122129 | 209361 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL504087 | 212402 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CCSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL3350896 | 209772 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL3350896 | 209772 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | ||||
| 11468916 | 114964 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 1137 | 15 | 14 | 14 | 0.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350910 | 114964 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 1137 | 15 | 14 | 14 | 0.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| 25188220 | 12385 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL1186489 | 12385 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL466609 | 12385 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL500326 | 212340 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL386784 | 210645 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| 11457521 | 114960 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350892 | 114960 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350884 | 209761 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350905 | 209778 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL2371085 | 208266 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL3350891 | 209768 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350893 | 209769 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350899 | 209775 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3122128 | 209360 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL263587 | 208833 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL3350898 | 209774 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350912 | 209784 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||||
| 25187400 | 12585 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187495 | 12585 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL504930 | 12585 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL504457 | 212406 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL265912 | 208926 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm010037+ | ||||
| CHEMBL2371060 | 208262 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL504248 | 212404 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CCSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL410047 | 211050 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| 11389178 | 114961 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350900 | 114961 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL503036 | 212389 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL3350895 | 209771 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm070886i | ||||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm1005868 | ||||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL447989 | 212203 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm049519m | ||||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL408338 | 210959 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm049520l | ||||
| CHEMBL409100 | 210999 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm010037+ | ||||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||||
| CHEMBL406373 | 210859 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL425090 | 211581 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||||
| CHEMBL452157 | 212226 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL3350881 | 209758 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350897 | 209773 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](c1c[nH]c2ccccc12)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL452157 | 212226 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL452157 | 212226 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL452157 | 212226 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL452157 | 212226 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm801314f | ||||
| CHEMBL452157 | 212226 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL3350894 | 209770 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL505128 | 212417 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 11563877 | 164168 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 668 | 9 | 3 | 5 | 5.7 | Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](C(=O)Nc2cc(CN(C)C)ccc2OC(F)(F)F)[C@@H](C)c2c[nH]c3ccccc23)CC1=O | 10.1016/j.bmc.2017.09.031 | ||
| CHEMBL4217405 | 164168 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 668 | 9 | 3 | 5 | 5.7 | Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](C(=O)Nc2cc(CN(C)C)ccc2OC(F)(F)F)[C@@H](C)c2c[nH]c3ccccc23)CC1=O | 10.1016/j.bmc.2017.09.031 | ||
| 44298251 | 193005 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C(OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm0205088 | ||
| CHEMBL53204 | 193005 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C(OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm0205088 | ||
| 56681776 | 62911 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 802 | 9 | 7 | 8 | 2.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)C2C(=O)[C@@H](Cc3c2[nH]c2ccccc32)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCC2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm000316h | ||
| CHEMBL1790896 | 62911 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 802 | 9 | 7 | 8 | 2.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)C2C(=O)[C@@H](Cc3c2[nH]c2ccccc32)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCC2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm000316h | ||
| 118718507 | 114859 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1050 | 14 | 11 | 12 | 3.4 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)NC(C)(C)C)NC1=O | 10.1021/jm970730q | ||
| CHEMBL3349670 | 114859 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1050 | 14 | 11 | 12 | 3.4 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)NC(C)(C)C)NC1=O | 10.1021/jm970730q | ||
| CHEMBL2079558 | 207450 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL2079559 | 207451 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL2079563 | 207452 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL2079626 | 207453 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL2311181 | 207762 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349505 | 209664 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | ||||
| CHEMBL3349508 | 209667 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | ||||
| CHEMBL3349597 | 209680 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349608 | 209690 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349610 | 209691 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(C)(C)SSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349611 | 209692 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349612 | 209693 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349613 | 209694 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349614 | 209695 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349617 | 209697 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349618 | 209698 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349663 | 209701 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349665 | 209703 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349666 | 209704 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349667 | 209705 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349671 | 209708 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349672 | 209709 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349673 | 209710 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349674 | 209711 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349675 | 209712 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349676 | 209713 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349677 | 209714 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349679 | 209716 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349680 | 209717 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3351090 | 209798 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 49865345 | 15735 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1043 | 18 | 13 | 12 | 0.7 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| CHEMBL1223230 | 15735 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1043 | 18 | 13 | 12 | 0.7 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| 155526536 | 170633 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1405 | 26 | 16 | 21 | -3.2 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4459308 | 170633 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1405 | 26 | 16 | 21 | -3.2 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL2372606 | 208531 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||||
| CHEMBL2372608 | 208531 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||||
| 10577746 | 205521 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 514 | 8 | 3 | 4 | 4.6 | NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)SCCN(Cc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(00)00552-7 | ||
| CHEMBL92914 | 205521 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 514 | 8 | 3 | 4 | 4.6 | NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)SCCN(Cc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(00)00552-7 | ||
| CHEMBL414544 | 211392 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| 162646037 | 178934 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
| CHEMBL4741230 | 178934 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
| CHEMBL387458 | 210663 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL455435 | 212250 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSCC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm701445q | ||||
| 44560867 | 188551 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1204 | 18 | 12 | 14 | 1.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N(C)C(=O)c2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||
| CHEMBL510693 | 188551 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1204 | 18 | 12 | 14 | 1.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N(C)C(=O)c2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||
| CHEMBL3349598 | 209681 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL414446 | 211383 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL1824051 | 207291 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL1824052 | 207292 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 56651206 | 174059 | 0 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 659 | 11 | 5 | 9 | 3.8 | NCCCCO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2CCCOC[C@@H](OCc2ccccc2)[C@H]1O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4557933 | 174059 | 0 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 659 | 11 | 5 | 9 | 3.8 | NCCCCO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2CCCOC[C@@H](OCc2ccccc2)[C@H]1O | 10.1016/j.ejmech.2018.11.030 | ||
| 16737812 | 85081 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 10 | 3 | 3 | 4.9 | NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL227211 | 85081 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 10 | 3 | 3 | 4.9 | NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | ||
| 118718854 | 114917 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350354 | 114917 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350902 | 209777 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](C(=O)c2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL509192 | 213560 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(N)=O)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| 44368019 | 10168 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1136 | 12 | 12 | 15 | 1.1 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(C(=O)c2ccccc2)C(=O)N(C)[C@H](O)NC(=O)[C@@H](N)CSSCCNC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161328 | 10168 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1136 | 12 | 12 | 15 | 1.1 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(C(=O)c2ccccc2)C(=O)N(C)[C@H](O)NC(=O)[C@@H](N)CSSCCNC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| 25187683 | 12345 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 627 | 12 | 4 | 4 | 5.2 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186082 | 12345 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 627 | 12 | 4 | 4 | 5.2 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL448713 | 12345 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 627 | 12 | 4 | 4 | 5.2 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| 25188218 | 12457 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL1186753 | 12457 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL476240 | 12457 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| 24777672 | 94471 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1027 | 18 | 12 | 11 | 1.0 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 | 10.1021/jm070886i | ||
| CHEMBL254210 | 94471 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1027 | 18 | 12 | 11 | 1.0 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 | 10.1021/jm070886i | ||
| 118718854 | 114917 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350354 | 114917 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350901 | 209776 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](C(=O)c2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | ||||
| 44368398 | 10169 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161331 | 10169 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1824050 | 207290 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 25187681 | 12363 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 613 | 11 | 4 | 4 | 5.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186190 | 12363 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 613 | 11 | 4 | 4 | 5.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL453412 | 12363 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 613 | 11 | 4 | 4 | 5.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O | 10.1021/jm801205x | ||
| 25189327 | 12587 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187509 | 12587 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL505888 | 12587 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL455760 | 212255 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2c[nH]c(C(=O)O)c2)CCSSCC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701445q | ||||
| 44368398 | 10169 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161331 | 10169 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| 46919128 | 16905 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 552 | 12 | 4 | 7 | 2.5 | CS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN=C(N)N | 10.1021/jm1002777 | ||
| CHEMBL1254882 | 16905 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 552 | 12 | 4 | 7 | 2.5 | CS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN=C(N)N | 10.1021/jm1002777 | ||
| CHEMBL3350909 | 209782 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm801205x | ||||
| CHEMBL504395 | 212405 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL2111200 | 207471 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL3350890 | 209767 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| 25187953 | 12580 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | ||
| CHEMBL1187458 | 12580 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | ||
| CHEMBL503379 | 12580 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | ||
| CHEMBL2111257 | 207472 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@H](C)c2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/ml200032v | ||||
| CHEMBL506892 | 212445 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL3350357 | 209729 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | ||||
| 118719101 | 114941 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1356 | 21 | 16 | 16 | 2.5 | CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||
| CHEMBL3350724 | 114941 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1356 | 21 | 16 | 16 | 2.5 | CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||
| CHEMBL2371059 | 208261 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||||
| CHEMBL1823873 | 207288 | 7 | None | -18 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 25187679 | 12562 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187340 | 12562 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL499398 | 12562 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL3350880 | 209757 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CNc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||||
| CHEMBL3350882 | 209759 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | ||||
| 25189325 | 12340 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186056 | 12340 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL447455 | 12340 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| 25188496 | 12428 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186630 | 12428 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL473160 | 12428 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1907758 | 207324 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350889 | 209766 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CNc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||||
| CHEMBL501776 | 212373 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL524870 | 213849 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701618q | ||||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm049520l | ||||
| CHEMBL505496 | 212422 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701445q | ||||
| CHEMBL2111200 | 207471 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL3122127 | 209359 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm801314f | ||||
| CHEMBL407649 | 210927 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| 155550820 | 173717 | 0 | None | -5 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 1275 | 22 | 16 | 18 | -2.3 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4549840 | 173717 | 0 | None | -5 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 1275 | 22 | 16 | 18 | -2.3 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| 11535351 | 96605 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 983 | 17 | 13 | 12 | -0.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CCCC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm070886i | ||
| CHEMBL267054 | 96605 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 983 | 17 | 13 | 12 | -0.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CCCC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm070886i | ||
| CHEMBL526550 | 213916 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)SS1)C(N)=O | 10.1021/jm701445q | ||||
| 70683416 | 73619 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL2021544 | 73619 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 44388037 | 160432 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1659 | 18 | 18 | 20 | 0.0 | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@@H]3CCCCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||
| CHEMBL411600 | 160432 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1659 | 18 | 18 | 20 | 0.0 | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@@H]3CCCCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||
| 155553012 | 173514 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 511 | 10 | 5 | 7 | 2.3 | Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC/C=C/CN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4544582 | 173514 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 511 | 10 | 5 | 7 | 2.3 | Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC/C=C/CN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 | 10.1016/j.ejmech.2018.11.030 | ||
| 155541897 | 172486 | 0 | None | -5 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 583 | 7 | 3 | 9 | 3.7 | CC(C)CCO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2Cn3cc(nn3)COCCCCCCN(CCc3c[nH]c4ccccc34)CC[C@H]1O2 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4519358 | 172486 | 0 | None | -5 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 583 | 7 | 3 | 9 | 3.7 | CC(C)CCO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2Cn3cc(nn3)COCCCCCCN(CCc3c[nH]c4ccccc34)CC[C@H]1O2 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL425465 | 211587 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL367125 | 210411 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| 44368398 | 10169 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161331 | 10169 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL414692 | 211399 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| 49865344 | 15734 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1031 | 17 | 13 | 12 | 0.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm1005868 | ||
| CHEMBL1223229 | 15734 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1031 | 17 | 13 | 12 | 0.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm1005868 | ||
| CHEMBL1824049 | 207289 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL540408 | 213937 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL554624 | 213949 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| 42637563 | 193838 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 989 | 12 | 9 | 12 | 2.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL553656 | 193838 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 989 | 12 | 9 | 12 | 2.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL265846 | 208922 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm010037+ | ||||
| 42637503 | 194144 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL558161 | 194144 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 42637632 | 59959 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL174206 | 59959 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL3349506 | 209665 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | ||||
| CHEMBL448431 | 212207 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| CHEMBL508585 | 213221 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| CHEMBL452074 | 212224 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2c[nH]c(C(=O)O)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701445q | ||||
| 45273129 | 194064 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1173 | 19 | 14 | 15 | 1.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSS[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC1=O | 10.1021/jm801314f | ||
| CHEMBL557288 | 194064 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1173 | 19 | 14 | 15 | 1.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSS[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC1=O | 10.1021/jm801314f | ||
| CHEMBL510755 | 213812 | 0 | None | - | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| 11159133 | 114963 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350904 | 114963 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL453936 | 212237 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL1907758 | 207324 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm040794i | ||||
| 13690207 | 114883 | 0 | None | -2041 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm960850i | ||
| CHEMBL3350037 | 114883 | 0 | None | -2041 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm960850i | ||
| CHEMBL1907758 | 207324 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL525030 | 213855 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL3350887 | 209764 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CNc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||||
| CHEMBL505854 | 212427 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 16737814 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL227212 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL504838 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| 16737814 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL227212 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL504838 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL436962 | 211952 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm049519m | ||||
| 16737814 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL227212 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL504838 | 85082 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1016/j.ejmech.2018.11.030 | ||
| 118718854 | 114917 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350354 | 114917 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL3350357 | 209729 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL2371108 | 208268 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL3350913 | 209785 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL3350725 | 209744 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL2369533 | 207887 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm010037+ | ||||
| CHEMBL3122130 | 209362 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL1907758 | 207324 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030243c | ||||
| CHEMBL410184 | 211059 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL262135 | 208782 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | ||||
| CHEMBL3349668 | 209706 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 118718854 | 114917 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350354 | 114917 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL2079558 | 207450 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 122179457 | 120940 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3582317 | 120940 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL1908984 | 207328 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL563124 | 207328 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL2372604 | 208530 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | ||||
| CHEMBL2372607 | 208530 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | ||||
| 49865343 | 15733 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1147 | 20 | 12 | 13 | 2.2 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| CHEMBL1223228 | 15733 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1147 | 20 | 12 | 13 | 2.2 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| CHEMBL2372603 | 208529 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | ||||
| CHEMBL447064 | 212198 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm701618q | ||||
| 25187955 | 12330 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1185951 | 12330 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL443084 | 12330 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL2372667 | 208535 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)[C@@H](N)Cc2ccccc2)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | ||||
| 90663875 | 106259 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1424 | 23 | 18 | 21 | -2.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL3144287 | 106259 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1424 | 23 | 18 | 21 | -2.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL2011466 | 207370 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 10.1021/ml200032v | ||||
| 44368406 | 10170 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1022 | 9 | 11 | 12 | 1.1 | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161332 | 10170 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1022 | 9 | 11 | 12 | 1.1 | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| 10114 | 2519 | 18 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| 56927659 | 2519 | 18 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| CHEMBL2204935 | 2519 | 18 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| CHEMBL436887 | 211943 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL3350885 | 209762 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@H](C)c2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3122123 | 209356 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL2372713 | 208539 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | ||||
| 2082 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm0302445 | ||
| 5311374 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm0302445 | ||
| CHEMBL1450103 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm0302445 | ||
| 2082 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm030243c | ||
| 5311374 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm030243c | ||
| CHEMBL1450103 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm030243c | ||
| 2082 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm030245x | ||
| 5311374 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm030245x | ||
| CHEMBL1450103 | 2228 | 11 | None | 7079 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1021/jm030245x | ||
| 11343811 | 114962 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350903 | 114962 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| 25189052 | 12563 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187345 | 12563 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL499681 | 12563 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL504462 | 212408 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL503596 | 212399 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 46902023 | 16857 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.7 | COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | ||
| CHEMBL1254476 | 16857 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.7 | COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | ||
| CHEMBL3349616 | 209696 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL2371051 | 208259 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL1824056 | 207296 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| 44325273 | 205577 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.4 | NCCCC1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc34)C(=O)C12 | 10.1016/s0960-894x(00)00552-7 | ||
| CHEMBL93351 | 205577 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.4 | NCCCC1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc34)C(=O)C12 | 10.1016/s0960-894x(00)00552-7 | ||
| 44444935 | 94205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 981 | 17 | 13 | 12 | -0.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm070886i | ||
| CHEMBL252355 | 94205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 981 | 17 | 13 | 12 | -0.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm070886i | ||
| 49865341 | 15731 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 981 | 17 | 13 | 12 | -0.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm1005868 | ||
| CHEMBL1223226 | 15731 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 981 | 17 | 13 | 12 | -0.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm1005868 | ||
| CHEMBL437905 | 211990 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL262790 | 208806 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| 44368422 | 10171 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1123 | 10 | 13 | 14 | -0.0 | C[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](O)NC(=O)N1C | 10.1021/jm030243c | ||
| CHEMBL1161333 | 10171 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1123 | 10 | 13 | 14 | -0.0 | C[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](O)NC(=O)N1C | 10.1021/jm030243c | ||
| 11642413 | 16919 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.9 | CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | ||
| CHEMBL1254967 | 16919 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.9 | CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | ||
| 44388123 | 168620 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1681 | 21 | 18 | 21 | 0.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| CHEMBL440618 | 168620 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1681 | 21 | 18 | 21 | 0.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| 11548587 | 16934 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 560 | 11 | 3 | 7 | 4.4 | CS[C@@H]1O[C@H](COCc2ccc3ccccc3c2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | ||
| CHEMBL1255049 | 16934 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 560 | 11 | 3 | 7 | 4.4 | CS[C@@H]1O[C@H](COCc2ccc3ccccc3c2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | ||
| 45268875 | 193937 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1363 | 19 | 12 | 15 | 2.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)CSSC[C@@H](C(=O)N[C@@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL555977 | 193937 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1363 | 19 | 12 | 15 | 2.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)CSSC[C@@H](C(=O)N[C@@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL441920 | 212152 | 5 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||||
| CHEMBL499939 | 212333 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| CHEMBL1908982 | 207327 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL552988 | 207327 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL502219 | 212380 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| 90663869 | 106255 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1424 | 23 | 18 | 21 | -2.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL3144281 | 106255 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1424 | 23 | 18 | 21 | -2.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL413441 | 211323 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL413735 | 211338 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNCCSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | ||||
| CHEMBL219201 | 207664 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C(=O)N[C@@H](Cc2ccc(NC(N)=O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm060363v | ||||
| CHEMBL502511 | 212384 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 118718854 | 114917 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350354 | 114917 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350907 | 209780 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@@H](C(=O)c2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | ||||
| 118719275 | 114982 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3351044 | 114982 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL2371070 | 208263 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@@H](C(=O)c2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL3122124 | 209357 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL3350883 | 209760 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@@H](C)c2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | ||||
| 91936729 | 167017 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | ||||
| CHEMBL430066 | 167017 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | ||||
| 42637136 | 194829 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL563462 | 194829 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 11828523 | 193335 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 669 | 20 | 3 | 9 | 5.5 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 | 10.1016/j.bmcl.2010.03.045 | ||
| CHEMBL54832 | 193335 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 669 | 20 | 3 | 9 | 5.5 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 | 10.1016/j.bmcl.2010.03.045 | ||
| 11828523 | 193335 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 669 | 20 | 3 | 9 | 5.5 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 | 10.1021/jm0205088 | ||
| CHEMBL54832 | 193335 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 669 | 20 | 3 | 9 | 5.5 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 | 10.1021/jm0205088 | ||
| CHEMBL511086 | 213816 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(NC(N)=O)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| 44368398 | 10169 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161331 | 10169 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| 25188776 | 12376 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186427 | 12376 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL462020 | 12376 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| 16151826 | 194183 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL558600 | 194183 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||
| 44388121 | 166169 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| CHEMBL428295 | 166169 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| 25189054 | 12595 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187568 | 12595 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL509513 | 12595 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1824058 | 207298 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| 56651207 | 175324 | 0 | None | 1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 655 | 10 | 5 | 9 | 3.6 | NC/C=C/CO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2/C=C/COC[C@@H](OCc2ccccc2)[C@H]1O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4586779 | 175324 | 0 | None | 1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 655 | 10 | 5 | 9 | 3.6 | NC/C=C/CO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2/C=C/COC[C@@H](OCc2ccccc2)[C@H]1O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL525397 | 213869 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 44368406 | 10170 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1022 | 9 | 11 | 12 | 1.1 | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161332 | 10170 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1022 | 9 | 11 | 12 | 1.1 | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL262975 | 208811 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| 70689221 | 77503 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1033 | 12 | 13 | 14 | -0.7 | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)N(C)[C@@H](O)NC1=O | 10.1021/jm030243c | ||
| CHEMBL2093026 | 77503 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1033 | 12 | 13 | 14 | -0.7 | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)N(C)[C@@H](O)NC1=O | 10.1021/jm030243c | ||
| 25187685 | 12364 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186206 | 12364 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL454202 | 12364 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL3349507 | 209666 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL261895 | 208775 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL2372699 | 208536 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@@H](N)Cc2cccc3ccccc23)CCSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | ||||
| 44388029 | 96007 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1659 | 18 | 18 | 20 | 0.0 | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]3CCCCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||
| CHEMBL262258 | 96007 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1659 | 18 | 18 | 20 | 0.0 | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]3CCCCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||
| 70689723 | 73620 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL2021559 | 73620 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL3349664 | 209702 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 52943613 | 16789 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 11 | 3 | 7 | 3.2 | CS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | ||
| CHEMBL1253788 | 16789 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 11 | 3 | 7 | 3.2 | CS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | ||
| 44388124 | 158823 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1680 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| CHEMBL410048 | 158823 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1680 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| 155528330 | 170774 | 0 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 513 | 11 | 5 | 7 | 2.5 | Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OCCCCN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4461404 | 170774 | 0 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 513 | 11 | 5 | 7 | 2.5 | Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OCCCCN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 | 10.1016/j.ejmech.2018.11.030 | ||
| 44290734 | 155294 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1123 | 15 | 12 | 11 | 1.3 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCNC(=O)CCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | ||
| CHEMBL406000 | 155294 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1123 | 15 | 12 | 11 | 1.3 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCNC(=O)CCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | ||
| 25188780 | 12325 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1185941 | 12325 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL442605 | 12325 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| 25187396 | 12575 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187397 | 12575 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL501699 | 12575 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL384855 | 210591 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| 45273131 | 193118 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1271 | 20 | 11 | 14 | 2.8 | CN(C(=O)c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | ||
| CHEMBL538451 | 193118 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1271 | 20 | 11 | 14 | 2.8 | CN(C(=O)c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | ||
| CHEMBL446077 | 212194 | 0 | None | - | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CNCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm701618q | ||||
| 52947330 | 16798 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 600 | 13 | 4 | 7 | 3.6 | CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCCN=C(N)N | 10.1021/jm1002777 | ||
| CHEMBL1253871 | 16798 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 600 | 13 | 4 | 7 | 3.6 | CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCCN=C(N)N | 10.1021/jm1002777 | ||
| 44560873 | 188558 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1809 | 40 | 18 | 25 | -1.0 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||
| CHEMBL510793 | 188558 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1809 | 40 | 18 | 25 | -1.0 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||
| CHEMBL2372604 | 208530 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | ||||
| CHEMBL2372607 | 208530 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | ||||
| 16738359 | 136659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL374833 | 136659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL453938 | 136659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| 16738359 | 136659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL374833 | 136659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL453938 | 136659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | ||
| 155529288 | 170831 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1072 | 19 | 12 | 13 | 0.7 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4462329 | 170831 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1072 | 19 | 12 | 13 | 0.7 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| 16737813 | 141549 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 418 | 8 | 3 | 3 | 2.9 | NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL388069 | 141549 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 418 | 8 | 3 | 3 | 2.9 | NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL3349669 | 209707 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL415144 | 211424 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL438285 | 212016 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| 90663873 | 106257 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1498 | 23 | 21 | 25 | -5.1 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL3144283 | 106257 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1498 | 23 | 21 | 25 | -5.1 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL3144285 | 106257 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1498 | 23 | 21 | 25 | -5.1 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| 25187398 | 12342 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186066 | 12342 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL448026 | 12342 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL502777 | 212386 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL263306 | 208821 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL3350726 | 209745 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| 44368489 | 10172 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1033 | 12 | 13 | 14 | -0.7 | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)N(C)[C@H](O)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161334 | 10172 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1033 | 12 | 13 | 14 | -0.7 | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)N(C)[C@H](O)NC1=O | 10.1021/jm030243c | ||
| CHEMBL524327 | 213826 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(NC(N)=O)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| 44298204 | 101054 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 683 | 21 | 3 | 9 | 5.5 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C(OCc2ccccc2)[C@H]1OCCc1cccnc1 | 10.1021/jm0205088 | ||
| CHEMBL298149 | 101054 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 683 | 21 | 3 | 9 | 5.5 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C(OCc2ccccc2)[C@H]1OCCc1cccnc1 | 10.1021/jm0205088 | ||
| CHEMBL505704 | 212425 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(=O)NO)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| 90663874 | 106258 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1660 | 26 | 24 | 30 | -7.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL3144286 | 106258 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1660 | 26 | 24 | 30 | -7.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL3144291 | 106258 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1660 | 26 | 24 | 30 | -7.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | ||
| CHEMBL498985 | 212318 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| 90663867 | 106253 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1322 | 20 | 18 | 20 | -3.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O)[C@@H]2O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm040794i | ||
| CHEMBL3144279 | 106253 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1322 | 20 | 18 | 20 | -3.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O)[C@@H]2O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm040794i | ||
| CHEMBL412029 | 211225 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C(=O)N[C@@H](Cc2ccc(NC(N)=O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm060363v | ||||
| CHEMBL499760 | 212330 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CONC(=O)Nc1ccc(C[C@@H]2NC(=O)[C@H](NC(=O)[C@H](N)Cc3ccc(Cl)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm701618q | ||||
| CHEMBL415585 | 211445 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL3350906 | 209779 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL415359 | 211437 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL501282 | 212365 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | ||||
| CHEMBL510901 | 213814 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701618q | ||||
| CHEMBL2079559 | 207451 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL559150 | 213967 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL265836 | 208921 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049519m | ||||
| CHEMBL3349678 | 209715 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 42637069 | 193837 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL553655 | 193837 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 44388109 | 161208 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 1653 | 22 | 20 | 21 | -0.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL413924 | 161208 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 1653 | 22 | 20 | 21 | -0.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | ||||
| CHEMBL437093 | 211957 | 0 | None | -16 | 5 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| 46865536 | 11814 | 0 | None | -131 | 7 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076623 | 11814 | 0 | None | -131 | 7 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1182658 | 11814 | 0 | None | -131 | 7 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44565112 | 12650 | 0 | None | -1548 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187847 | 12650 | 0 | None | -1548 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL523814 | 12650 | 0 | None | -1548 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44565159 | 193222 | 0 | None | -4466 | 5 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL540705 | 193222 | 0 | None | -4466 | 5 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 9871544 | 14101 | 1 | None | -30 | 11 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076624 | 14101 | 1 | None | -30 | 11 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1198948 | 14101 | 1 | None | -30 | 11 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| 2030 | 3615 | 7 | None | -21379 | 10 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| 5311377 | 3615 | 7 | None | -21379 | 10 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251541 | 3615 | 7 | None | -21379 | 10 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL265636 | 208913 | 0 | None | -12 | 4 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N(C)[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm000361p | ||||
| 10162564 | 12433 | 0 | None | -4168 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186652 | 12433 | 0 | None | -4168 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL473763 | 12433 | 0 | None | -4168 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL2370166 | 208060 | 0 | None | -120 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccccc1)N1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C1=O | 10.1021/jm970393l | ||||
| CHEMBL384836 | 210590 | 0 | None | -19 | 5 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C)C(N)=O | 10.1021/jm000361p | ||||
| 17955460 | 176201 | 0 | None | -4365 | 9 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 491 | 7 | 0 | 4 | 5.3 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL460542 | 176201 | 0 | None | -4365 | 9 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 491 | 7 | 0 | 4 | 5.3 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL413830 | 211341 | 0 | None | -13 | 5 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N(C)[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm000361p | ||||
| 44447073 | 94114 | 0 | None | -9772 | 10 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL251835 | 94114 | 0 | None | -9772 | 10 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 46865535 | 5464 | 0 | None | -123 | 7 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 550 | 6 | 0 | 5 | 5.7 | Cc1nc2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2o1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076622 | 5464 | 0 | None | -123 | 7 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 550 | 6 | 0 | 5 | 5.7 | Cc1nc2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2o1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL2370167 | 208061 | 0 | None | -1905 | 5 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | ||||
| CHEMBL2370168 | 208062 | 0 | None | -1023 | 5 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | ||||
| 9849682 | 94511 | 0 | None | -23988 | 10 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL254500 | 94511 | 0 | None | -23988 | 10 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 155544425 | 172810 | 0 | None | -251188 | 5 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 1785 | 27 | 15 | 26 | 3.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 | 10.1021/acs.jmedchem.8b02036 | ||
| CHEMBL4527856 | 172810 | 0 | None | -251188 | 5 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 1785 | 27 | 15 | 26 | 3.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 | 10.1021/acs.jmedchem.8b02036 | ||
| 44447078 | 94180 | 0 | None | -30 | 7 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252232 | 94180 | 0 | None | -30 | 7 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL409019 | 210995 | 0 | None | -20 | 5 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C)C(N)=O | 10.1021/jm000361p | ||||
| 46880588 | 14102 | 0 | None | -8 | 7 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076625 | 14102 | 0 | None | -8 | 7 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1198974 | 14102 | 0 | None | -8 | 7 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44447077 | 94179 | 0 | None | -19 | 7 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252231 | 94179 | 0 | None | -19 | 7 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL421362 | 211526 | 0 | None | -6606 | 5 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | ||||
| 168272497 | 189639 | 0 | None | 3467 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 8 | 2 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5174969 | 189639 | 0 | None | 3467 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 8 | 2 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 168280914 | 190208 | 0 | None | 18197 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5183772 | 190208 | 0 | None | 18197 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 168288485 | 191135 | 0 | None | 2454 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5197201 | 191135 | 0 | None | 2454 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/s0960-894x(01)00107-x | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/s0960-894x(01)00107-x | ||||
| 168279197 | 190338 | 0 | None | 1621 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5185547 | 190338 | 0 | None | 1621 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0108449 | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0108449 | ||||
| 2082 | 2228 | 11 | None | 7079 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1039/C8MD00388B | ||
| 5311374 | 2228 | 11 | None | 7079 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1039/C8MD00388B | ||
| CHEMBL1450103 | 2228 | 11 | None | 7079 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 10.1039/C8MD00388B | ||
| 168274800 | 189499 | 0 | None | 630 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5172814 | 189499 | 0 | None | 630 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471832 | 189681 | 0 | None | 138 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5175637 | 189681 | 0 | None | 138 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 168271257 | 189920 | 0 | None | 8912 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5179456 | 189920 | 0 | None | 8912 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 142471936 | 190899 | 0 | None | 776 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.5 | Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5193727 | 190899 | 0 | None | 776 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.5 | Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | ||||
| 142471730 | 189791 | 0 | None | 741 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.3 | FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5177487 | 189791 | 0 | None | 741 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.3 | FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 168272821 | 190000 | 0 | None | 4677 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/D1MD00044F | ||
| CHEMBL5180543 | 190000 | 0 | None | 4677 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/D1MD00044F | ||
| 142471924 | 189800 | 0 | None | 524 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 432 | 8 | 2 | 4 | 4.6 | Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5177573 | 189800 | 0 | None | 524 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 432 | 8 | 2 | 4 | 4.6 | Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 168296886 | 191909 | 0 | None | 5754 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5209180 | 191909 | 0 | None | 5754 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 142471678 | 189449 | 0 | None | 660 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5171935 | 189449 | 0 | None | 660 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 142471848 | 190673 | 0 | None | 263 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5190457 | 190673 | 0 | None | 263 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 168275406 | 189713 | 0 | None | 794 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5176083 | 189713 | 0 | None | 794 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 10115 | 2079 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 468 | 10 | 4 | 5 | 1.4 | NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C | 10.1039/C8MD00388B | ||
| 11442741 | 2079 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 468 | 10 | 4 | 5 | 1.4 | NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C | 10.1039/C8MD00388B | ||
| CHEMBL4451852 | 2079 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 468 | 10 | 4 | 5 | 1.4 | NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C | 10.1039/C8MD00388B | ||
| 168279055 | 190646 | 0 | None | 4265 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5190056 | 190646 | 0 | None | 4265 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL4299281 | 211810 | 0 | None | -44 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2016.02.046 | ||||
| 142471891 | 190001 | 0 | None | 436 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5180551 | 190001 | 0 | None | 436 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm980118e | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm980118e | ||||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm050376t | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm050376t | ||||
| 168275268 | 189565 | 0 | None | 2884 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4cc(Cl)cc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5173784 | 189565 | 0 | None | 2884 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4cc(Cl)cc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 142471929 | 190573 | 0 | None | 676 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5188841 | 190573 | 0 | None | 676 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471978 | 191845 | 0 | None | 891 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 4.3 | c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5208396 | 191845 | 0 | None | 891 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 4.3 | c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 16129706 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm020424z | ||||
| CHEMBL1823872 | 207287 | 36 | None | -13 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm020424z | ||||
| CHEMBL408362 | 210963 | 0 | None | -44 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm980194h | ||||
| CHEMBL3098601 | 209272 | 0 | None | -8 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1C/C=C\C[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | ||||
| 142471801 | 191701 | 0 | None | 199 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 9 | 2 | 5 | 5.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5206148 | 191701 | 0 | None | 199 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 9 | 2 | 5 | 5.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 91809283 | 125239 | 0 | None | -134 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1456 | 23 | 17 | 16 | 2.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647684 | 125239 | 0 | None | -134 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1456 | 23 | 17 | 16 | 2.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 10009650 | 99334 | 0 | None | 3 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL285333 | 99334 | 0 | None | 3 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 44298251 | 193005 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C(OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm0205088 | ||
| CHEMBL53204 | 193005 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C(OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm0205088 | ||
| CHEMBL2311098 | 207760 | 0 | None | -83 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369733 | 207916 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N(C)[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369735 | 207918 | 0 | None | -181 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369749 | 207922 | 0 | None | -83 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369750 | 207923 | 0 | None | -27 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H]1CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369751 | 207924 | 0 | None | -11 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1 | 10.1021/jm0005048 | ||||
| CHEMBL2369752 | 207925 | 0 | None | -19 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369753 | 207926 | 0 | None | -11 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N1C | 10.1021/jm0005048 | ||||
| CHEMBL2369754 | 207927 | 0 | None | -107 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369755 | 207928 | 0 | None | -165 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369756 | 207929 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369757 | 207930 | 0 | None | -40 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cccnc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369758 | 207931 | 0 | None | -36 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369759 | 207932 | 0 | None | -1 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)C(N)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369760 | 207933 | 0 | None | -42 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@@H](N)CCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369761 | 207934 | 0 | None | -8 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)C(N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1)C(c1ccccc1)c1ccccc1 | 10.1021/jm0005048 | ||||
| 10625762 | 37152 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 517 | 11 | 3 | 4 | 5.2 | NCCCC/N=C(\S)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL145472 | 37152 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 517 | 11 | 3 | 4 | 5.2 | NCCCC/N=C(\S)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 10554709 | 118809 | 0 | None | 3 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 549 | 7 | 3 | 5 | 5.4 | S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc2[nH]nnc2c1 | 10.1021/jm980118e | ||
| CHEMBL344074 | 118809 | 0 | None | 3 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 549 | 7 | 3 | 5 | 5.4 | S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc2[nH]nnc2c1 | 10.1021/jm980118e | ||
| 90665461 | 108774 | 0 | None | -5 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 807 | 13 | 3 | 7 | 4.3 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| CHEMBL3218123 | 108774 | 0 | None | -5 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 807 | 13 | 3 | 7 | 4.3 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| 10876118 | 194579 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1c[nH]cn1 | 10.1021/jm0205088 | ||
| CHEMBL56181 | 194579 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1c[nH]cn1 | 10.1021/jm0205088 | ||
| CHEMBL275806 | 209078 | 0 | None | -6 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC1=O | 10.1021/jm9806289 | ||||
| 90644981 | 111321 | 0 | None | -660 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287613 | 111321 | 0 | None | -660 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 142471719 | 189908 | 0 | None | 204 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.5 | Cn1cc(CCc2nnc(Cc3cccc(C(F)(F)F)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| CHEMBL5179321 | 189908 | 0 | None | 204 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.5 | Cn1cc(CCc2nnc(Cc3cccc(C(F)(F)F)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| 9852911 | 98924 | 0 | None | -8 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL282618 | 98924 | 0 | None | -8 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 9852911 | 98924 | 0 | None | -8 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL282618 | 98924 | 0 | None | -8 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1016/j.ejmech.2018.11.030 | ||
| 10815650 | 164380 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 512 | 12 | 3 | 5 | 4.6 | S=C(NCCCNc1ccccn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | ||
| CHEMBL422475 | 164380 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 512 | 12 | 3 | 5 | 4.6 | S=C(NCCCNc1ccccn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | ||
| 127029955 | 138357 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 5.3 | NCCCc1cc(Cl)cc2c(=O)cc(CCc3cccc4ccccc34)oc12 | 10.1016/j.ejmech.2016.02.046 | ||
| CHEMBL3780791 | 138357 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 5.3 | NCCCc1cc(Cl)cc2c(=O)cc(CCc3cccc4ccccc34)oc12 | 10.1016/j.ejmech.2016.02.046 | ||
| CHEMBL3782073 | 138357 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 5.3 | NCCCc1cc(Cl)cc2c(=O)cc(CCc3cccc4ccccc34)oc12 | 10.1016/j.ejmech.2016.02.046 | ||
| 9872511 | 121505 | 0 | None | 21 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 486 | 11 | 3 | 4 | 4.1 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | ||
| CHEMBL359453 | 121505 | 0 | None | 21 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 486 | 11 | 3 | 4 | 4.1 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | ||
| 142471938 | 191410 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 4.5 | c1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5201594 | 191410 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 4.5 | c1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471860 | 191907 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 9 | 2 | 4 | 4.6 | Fc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5209165 | 191907 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 9 | 2 | 4 | 4.6 | Fc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 10603005 | 118633 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 562 | 8 | 3 | 4 | 5.7 | S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCc1nc2ccccc2[nH]1 | 10.1021/jm980118e | ||
| CHEMBL342781 | 118633 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 562 | 8 | 3 | 4 | 5.7 | S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCc1nc2ccccc2[nH]1 | 10.1021/jm980118e | ||
| 10974575 | 100327 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 713 | 20 | 2 | 8 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(Cl)nc1 | 10.1021/jm0205088 | ||
| CHEMBL293114 | 100327 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 713 | 20 | 2 | 8 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(Cl)nc1 | 10.1021/jm0205088 | ||
| 90665463 | 108775 | 0 | None | -4 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 882 | 28 | 3 | 9 | 4.5 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CCN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | ||
| CHEMBL3218124 | 108775 | 0 | None | -4 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 882 | 28 | 3 | 9 | 4.5 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CCN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | ||
| CHEMBL1791312 | 207182 | 0 | None | -123 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | ||||
| CHEMBL2371893 | 208402 | 0 | None | -112 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(C(F)(F)F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| 10865371 | 100605 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 693 | 20 | 2 | 8 | 7.1 | Cc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCCc3c[nH]c4ccccc34)O[C@@H]2COCCCCCN)cn1 | 10.1021/jm0205088 | ||
| CHEMBL294830 | 100605 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 693 | 20 | 2 | 8 | 7.1 | Cc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCCc3c[nH]c4ccccc34)O[C@@H]2COCCCCCN)cn1 | 10.1021/jm0205088 | ||
| 44397648 | 66431 | 0 | None | -32 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL185861 | 66431 | 0 | None | -32 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| 10650940 | 121470 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 582 | 13 | 3 | 4 | 6.1 | S=C(NCCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH]cn1 | 10.1021/jm980118e | ||
| CHEMBL359215 | 121470 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 582 | 13 | 3 | 4 | 6.1 | S=C(NCCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH]cn1 | 10.1021/jm980118e | ||
| 10436888 | 118806 | 0 | None | 295 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 524 | 10 | 3 | 4 | 4.8 | O=C(NCCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL344059 | 118806 | 0 | None | 295 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 524 | 10 | 3 | 4 | 4.8 | O=C(NCCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 142471961 | 190826 | 0 | None | 275 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 494 | 10 | 2 | 5 | 5.4 | FC(F)(F)Oc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5192791 | 190826 | 0 | None | 275 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 494 | 10 | 2 | 5 | 5.4 | FC(F)(F)Oc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 44397706 | 66855 | 0 | None | -77 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL187768 | 66855 | 0 | None | -77 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| 10745635 | 118842 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 568 | 12 | 2 | 5 | 5.7 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| CHEMBL344285 | 118842 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 568 | 12 | 2 | 5 | 5.7 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| 10053855 | 167989 | 0 | None | -263 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 8 | 2 | 6 | 3.2 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N(C)C[C@H]1OC[C@H](N)CO1)N1CCN(C2CCCN(c3ccccc3)C2)C1=O | 10.1016/s0960-894x(99)00016-5 | ||
| CHEMBL435631 | 167989 | 0 | None | -263 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 8 | 2 | 6 | 3.2 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N(C)C[C@H]1OC[C@H](N)CO1)N1CCN(C2CCCN(c3ccccc3)C2)C1=O | 10.1016/s0960-894x(99)00016-5 | ||
| 155519582 | 169818 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.4 | Clc1ccc(Cn2c(CCc3c[nH]cn3)nnc2CCc2c[nH]c3ccccc23)cc1Cl | 10.1039/C8MD00388B | ||
| CHEMBL4447896 | 169818 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.4 | Clc1ccc(Cn2c(CCc3c[nH]cn3)nnc2CCc2c[nH]c3ccccc23)cc1Cl | 10.1039/C8MD00388B | ||
| CHEMBL2372960 | 208581 | 0 | None | -4 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | ||||
| 9893924 | 4680 | 27 | None | 52 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1039/C8MD00388B | ||
| CHEMBL103769 | 4680 | 27 | None | 52 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1039/C8MD00388B | ||
| 10698706 | 33586 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 591 | 8 | 2 | 4 | 7.1 | S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc(N2CCCCC2)cc1 | 10.1021/jm980118e | ||
| CHEMBL142293 | 33586 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 591 | 8 | 2 | 4 | 7.1 | S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc(N2CCCCC2)cc1 | 10.1021/jm980118e | ||
| CHEMBL408987 | 210993 | 0 | None | -9 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)CNC1=O | 10.1021/jm9806289 | ||||
| 2054 | 3911 | 11 | None | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| 71306 | 3911 | 11 | None | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| CHEMBL264186 | 3911 | 11 | None | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| CHEMBL3349523 | 3911 | 11 | None | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| DB04894 | 3911 | 11 | None | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| CHEMBL437220 | 211963 | 0 | None | -63 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 10369961 | 34416 | 0 | None | 48 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 536 | 11 | 3 | 4 | 5.2 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL142986 | 34416 | 0 | None | 48 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 536 | 11 | 3 | 4 | 5.2 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 142471896 | 190549 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 446 | 9 | 2 | 4 | 4.8 | Fc1cc(F)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5188361 | 190549 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 446 | 9 | 2 | 4 | 4.8 | Fc1cc(F)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 44820545 | 52214 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 519 | 11 | 3 | 3 | 5.3 | S=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 | 10.1039/c1md00200g | ||
| CHEMBL1591395 | 52214 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 519 | 11 | 3 | 3 | 5.3 | S=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 | 10.1039/c1md00200g | ||
| CHEMBL2372957 | 208578 | 0 | None | -85 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | ||||
| 9852911 | 98924 | 0 | None | -8 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1016/j.ejmech.2016.02.046 | ||
| CHEMBL282618 | 98924 | 0 | None | -8 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1016/j.ejmech.2016.02.046 | ||
| 9852911 | 98924 | 0 | None | -8 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm0205088 | ||
| CHEMBL282618 | 98924 | 0 | None | -8 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm0205088 | ||
| 9893924 | 4680 | 27 | None | 52 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1039/c1md00200g | ||
| CHEMBL103769 | 4680 | 27 | None | 52 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1039/c1md00200g | ||
| 9985523 | 98704 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 572 | 17 | 2 | 6 | 6.2 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL281200 | 98704 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 572 | 17 | 2 | 6 | 6.2 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 10816544 | 33588 | 0 | None | 43 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 551 | 10 | 2 | 4 | 5.6 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1ccccn1 | 10.1021/jm980118e | ||
| CHEMBL142295 | 33588 | 0 | None | 43 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 551 | 10 | 2 | 4 | 5.6 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1ccccn1 | 10.1021/jm980118e | ||
| 10650427 | 34212 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 554 | 11 | 2 | 5 | 5.3 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| CHEMBL142823 | 34212 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 554 | 11 | 2 | 5 | 5.3 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| 10625454 | 118859 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 507 | 11 | 3 | 6 | 4.5 | O=[N+]([O-])c1ccc(N(CC/N=C(\S)NCCCc2c[nH]cn2)Cc2ccc(Cl)c(Cl)c2)nc1 | 10.1021/jm980118e | ||
| CHEMBL344404 | 118859 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 507 | 11 | 3 | 6 | 4.5 | O=[N+]([O-])c1ccc(N(CC/N=C(\S)NCCCc2c[nH]cn2)Cc2ccc(Cl)c(Cl)c2)nc1 | 10.1021/jm980118e | ||
| CHEMBL413171 | 211303 | 0 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 10698494 | 34721 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 580 | 12 | 3 | 5 | 5.9 | S=C(NCCCNc1ccccn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL143245 | 34721 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 580 | 12 | 3 | 5 | 5.9 | S=C(NCCCNc1ccccn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 44820569 | 52199 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 5.1 | CN(CCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)C(=S)NCCCc1cnc[nH]1 | 10.1039/c1md00200g | ||
| CHEMBL1591268 | 52199 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 5.1 | CN(CCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)C(=S)NCCCc1cnc[nH]1 | 10.1039/c1md00200g | ||
| 56945132 | 170854 | 0 | None | 251 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/C8MD00388B | ||
| CHEMBL4462793 | 170854 | 0 | None | 251 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/C8MD00388B | ||
| 10770814 | 100325 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL29311 | 100325 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 155546680 | 172993 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 628 | 16 | 1 | 5 | 8.3 | NCCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1cccc2ccccc12 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4532486 | 172993 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 628 | 16 | 1 | 5 | 8.3 | NCCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1cccc2ccccc12 | 10.1016/j.ejmech.2018.11.030 | ||
| 56651206 | 174059 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 659 | 11 | 5 | 9 | 3.8 | NCCCCO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2CCCOC[C@@H](OCc2ccccc2)[C@H]1O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4557933 | 174059 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 659 | 11 | 5 | 9 | 3.8 | NCCCCO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2CCCOC[C@@H](OCc2ccccc2)[C@H]1O | 10.1016/j.ejmech.2018.11.030 | ||
| 122181227 | 121332 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 628 | 16 | 1 | 5 | 8.3 | NCCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccc2ccccc2c1 | 10.1039/C4MD00074A | ||
| CHEMBL3589942 | 121332 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 628 | 16 | 1 | 5 | 8.3 | NCCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccc2ccccc2c1 | 10.1039/C4MD00074A | ||
| 13690207 | 114883 | 0 | None | -2041 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm980118e | ||
| CHEMBL3350037 | 114883 | 0 | None | -2041 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm980118e | ||
| CHEMBL1794035 | 207194 | 0 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm0005048 | ||||
| 91809287 | 159711 | 0 | None | -41 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL4110066 | 159711 | 0 | None | -41 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 142471684 | 190856 | 0 | None | 1174 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5193172 | 190856 | 0 | None | 1174 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 155541853 | 172474 | 0 | None | -3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1636 | 26 | 21 | 23 | -3.8 | CC(=O)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1039/C8MD00388B | ||
| CHEMBL4519096 | 172474 | 0 | None | -3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1636 | 26 | 21 | 23 | -3.8 | CC(=O)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1039/C8MD00388B | ||
| 168296234 | 191690 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5205998 | 191690 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 142471841 | 190989 | 0 | None | 363 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5195145 | 190989 | 0 | None | 363 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 91809286 | 125242 | 0 | None | -128 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1489 | 23 | 16 | 15 | 2.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3647687 | 125242 | 0 | None | -128 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1489 | 23 | 16 | 15 | 2.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| 10699714 | 98958 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL282803 | 98958 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 10325243 | 100029 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 549 | 17 | 1 | 7 | 5.3 | CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL29102 | 100029 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 549 | 17 | 1 | 7 | 5.3 | CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 44308969 | 202661 | 0 | None | -1258 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| CHEMBL71723 | 202661 | 0 | None | -1258 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| 10601454 | 35083 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 11 | 3 | 4 | 5.0 | NCCCC/N=C(\S)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL143668 | 35083 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 11 | 3 | 4 | 5.0 | NCCCC/N=C(\S)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 90665458 | 108771 | 0 | None | -2 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 632 | 11 | 3 | 6 | 2.5 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| CHEMBL3218120 | 108771 | 0 | None | -2 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 632 | 11 | 3 | 6 | 2.5 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| 155550820 | 173717 | 0 | None | -5 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 1275 | 22 | 16 | 18 | -2.3 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4549840 | 173717 | 0 | None | -5 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 1275 | 22 | 16 | 18 | -2.3 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| 127032867 | 138341 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 338 | 10 | 2 | 3 | 4.3 | NCCCCCOc1ccccc1OCCc1c[nH]c2ccccc12 | 10.1016/j.ejmech.2016.02.046 | ||
| CHEMBL3781875 | 138341 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 338 | 10 | 2 | 3 | 4.3 | NCCCCCOc1ccccc1OCCc1c[nH]c2ccccc12 | 10.1016/j.ejmech.2016.02.046 | ||
| 155558366 | 174166 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 4.3 | c1ccc(CCn2c(CCc3c[nH]cn3)nnc2CCc2c[nH]c3ccccc23)cc1 | 10.1039/C8MD00388B | ||
| CHEMBL4560435 | 174166 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 4.3 | c1ccc(CCn2c(CCc3c[nH]cn3)nnc2CCc2c[nH]c3ccccc23)cc1 | 10.1039/C8MD00388B | ||
| 127033186 | 138349 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 779 | 17 | 5 | 9 | 6.1 | CC(C)CC[C@]1(Cc2ccccc2)NC=C([C@@]2(Cc3ccccc3)NC=C([C@]3(CCCN)NC=C([C@@]4(CC(C)C)NC=C(Cc5ccccc5)C4=O)C3=O)C2=O)C1=O | 10.1016/j.ejmech.2016.02.046 | ||
| CHEMBL3782021 | 138349 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 779 | 17 | 5 | 9 | 6.1 | CC(C)CC[C@]1(Cc2ccccc2)NC=C([C@@]2(Cc3ccccc3)NC=C([C@]3(CCCN)NC=C([C@@]4(CC(C)C)NC=C(Cc5ccccc5)C4=O)C3=O)C2=O)C1=O | 10.1016/j.ejmech.2016.02.046 | ||
| 142471846 | 190735 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5191532 | 190735 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 155553012 | 173514 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 511 | 10 | 5 | 7 | 2.3 | Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC/C=C/CN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4544582 | 173514 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 511 | 10 | 5 | 7 | 2.3 | Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC/C=C/CN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 | 10.1016/j.ejmech.2018.11.030 | ||
| 90665462 | 108743 | 0 | None | -6 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 867 | 27 | 3 | 9 | 4.1 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | ||
| CHEMBL3217760 | 108743 | 0 | None | -6 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 867 | 27 | 3 | 9 | 4.1 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | ||
| 155541897 | 172486 | 0 | None | -5 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 583 | 7 | 3 | 9 | 3.7 | CC(C)CCO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2Cn3cc(nn3)COCCCCCCN(CCc3c[nH]c4ccccc34)CC[C@H]1O2 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4519358 | 172486 | 0 | None | -5 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 583 | 7 | 3 | 9 | 3.7 | CC(C)CCO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2Cn3cc(nn3)COCCCCCCN(CCc3c[nH]c4ccccc34)CC[C@H]1O2 | 10.1016/j.ejmech.2018.11.030 | ||
| 44309052 | 202249 | 0 | None | -109 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@H]1CCC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| CHEMBL69303 | 202249 | 0 | None | -109 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@H]1CCC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| 155557409 | 174091 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 427 | 8 | 2 | 4 | 4.8 | NCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1 | 10.1039/C8MD00388B | ||
| CHEMBL4558708 | 174091 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 427 | 8 | 2 | 4 | 4.8 | NCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1 | 10.1039/C8MD00388B | ||
| 91809285 | 125241 | 0 | None | -186 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1880 | 34 | 19 | 19 | 5.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647686 | 125241 | 0 | None | -186 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1880 | 34 | 19 | 19 | 5.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 44308836 | 102318 | 0 | None | -616 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| CHEMBL305279 | 102318 | 0 | None | -616 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| 91809276 | 125232 | 0 | None | -74 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1620 | 27 | 18 | 16 | 4.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3647677 | 125232 | 0 | None | -74 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1620 | 27 | 18 | 16 | 4.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| 44820563 | 25830 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 5.1 | CN(CCCc1cnc[nH]1)C(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 | 10.1039/c1md00200g | ||
| CHEMBL1355048 | 25830 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 5.1 | CN(CCCc1cnc[nH]1)C(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 | 10.1039/c1md00200g | ||
| 10974426 | 96479 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 680 | 20 | 2 | 9 | 6.1 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cnccn1 | 10.1021/jm0205088 | ||
| CHEMBL266004 | 96479 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 680 | 20 | 2 | 9 | 6.1 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cnccn1 | 10.1021/jm0205088 | ||
| 142471840 | 191247 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5198961 | 191247 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL2372956 | 208577 | 0 | None | -51 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | ||||
| 142471665 | 191111 | 0 | None | 602 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5196971 | 191111 | 0 | None | 602 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 142471655 | 189831 | 0 | None | 562 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5178013 | 189831 | 0 | None | 562 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 142471677 | 191352 | 0 | None | 1621 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.5 | FC(F)(F)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5200786 | 191352 | 0 | None | 1621 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.5 | FC(F)(F)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 91809288 | 125243 | 0 | None | -18 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647688 | 125243 | 0 | None | -18 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 142471769 | 191189 | 0 | None | 301 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 456 | 10 | 2 | 6 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5198142 | 191189 | 0 | None | 301 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 456 | 10 | 2 | 6 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 86293506 | 118314 | 0 | None | 229 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)n1 | 10.1021/ml500538a | ||
| CHEMBL3421842 | 118314 | 0 | None | 229 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)n1 | 10.1021/ml500538a | ||
| CHEMBL1791306 | 207180 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | ||||
| 142471768 | 191406 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 435 | 9 | 2 | 5 | 4.4 | N#Cc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5201540 | 191406 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 435 | 9 | 2 | 5 | 4.4 | N#Cc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 10554930 | 99729 | 0 | None | 1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 562 | 17 | 3 | 7 | 4.9 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL28824 | 99729 | 0 | None | 1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 562 | 17 | 3 | 7 | 4.9 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL439136 | 212079 | 0 | None | -9 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| CHEMBL3349599 | 209682 | 0 | None | -1000 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349604 | 209687 | 0 | None | -794 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | ||||
| 24936235 | 121328 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 10 | 5 | 6 | 0.6 | NCCCCCOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCc1c[nH]c2ccccc12 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL3589939 | 121328 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 10 | 5 | 6 | 0.6 | NCCCCCOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCc1c[nH]c2ccccc12 | 10.1016/j.ejmech.2018.11.030 | ||
| 2051 | 3520 | 20 | None | -16595 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980118e | ||||
| 5311430 | 3520 | 20 | None | -16595 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980118e | ||||
| CHEMBL311695 | 3520 | 20 | None | -16595 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980118e | ||||
| 24936235 | 121328 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 10 | 5 | 6 | 0.6 | NCCCCCOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCc1c[nH]c2ccccc12 | 10.1039/C4MD00074A | ||
| CHEMBL3589939 | 121328 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 10 | 5 | 6 | 0.6 | NCCCCCOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCc1c[nH]c2ccccc12 | 10.1039/C4MD00074A | ||
| 168280615 | 190286 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 455 | 10 | 2 | 4 | 5.6 | NCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5184884 | 190286 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 455 | 10 | 2 | 4 | 5.6 | NCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1 | 10.1039/D1MD00044F | ||
| CHEMBL437448 | 211971 | 0 | None | -208 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Br)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(Br)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 142471703 | 191136 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 10 | 2 | 6 | 4.4 | O=[N+]([O-])c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5197218 | 191136 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 10 | 2 | 6 | 4.4 | O=[N+]([O-])c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 11125276 | 100091 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 679 | 20 | 2 | 8 | 6.7 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 | 10.1021/jm0205088 | ||
| CHEMBL291474 | 100091 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 679 | 20 | 2 | 8 | 6.7 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 | 10.1021/jm0205088 | ||
| 142471682 | 190918 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5193951 | 190918 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 10166743 | 123428 | 0 | None | -47 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 439 | 6 | 4 | 2 | 6.1 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL362859 | 123428 | 0 | None | -47 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 439 | 6 | 4 | 2 | 6.1 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| 142471893 | 189733 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 516 | 12 | 2 | 5 | 6.1 | c1ccc(COc2cccc(Cc3nnc(CCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)c2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5176454 | 189733 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 516 | 12 | 2 | 5 | 6.1 | c1ccc(COc2cccc(Cc3nnc(CCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)c2)cc1 | 10.1039/D1MD00044F | ||
| 142471814 | 191564 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5203972 | 191564 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 44385504 | 60723 | 0 | None | -9 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 489 | 7 | 4 | 3 | 6.4 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(OC(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL176313 | 60723 | 0 | None | -9 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 489 | 7 | 4 | 3 | 6.4 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(OC(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| 13690207 | 114883 | 0 | None | -2041 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1039/C2MD20265D | ||
| CHEMBL3350037 | 114883 | 0 | None | -2041 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1039/C2MD20265D | ||
| 86294248 | 118315 | 1 | None | 1023 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 298 | 3 | 2 | 4 | 1.4 | Cn1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc21 | 10.1021/ml500538a | ||
| CHEMBL3421843 | 118315 | 1 | None | 1023 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 298 | 3 | 2 | 4 | 1.4 | Cn1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc21 | 10.1021/ml500538a | ||
| 142471737 | 189710 | 0 | None | 77 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.8 | Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| CHEMBL5176020 | 189710 | 0 | None | 77 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.8 | Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| 10553122 | 33830 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 490 | 12 | 2 | 5 | 4.9 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| CHEMBL142492 | 33830 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 490 | 12 | 2 | 5 | 4.9 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| 9959684 | 33725 | 0 | None | 2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 566 | 7 | 2 | 4 | 5.6 | S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)N1CCC(c2c[nH]cn2)CC1 | 10.1021/jm980118e | ||
| CHEMBL142402 | 33725 | 0 | None | 2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 566 | 7 | 2 | 4 | 5.6 | S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)N1CCC(c2c[nH]cn2)CC1 | 10.1021/jm980118e | ||
| 10505242 | 33620 | 0 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 489 | 9 | 3 | 4 | 4.4 | NCCC/N=C(\S)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL142321 | 33620 | 0 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 489 | 9 | 3 | 4 | 4.4 | NCCC/N=C(\S)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL264028 | 208858 | 0 | None | -24 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(I)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 51003591 | 56461 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 661 | 19 | 2 | 6 | 7.3 | NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2010.11.088 | ||
| CHEMBL1643110 | 56461 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 661 | 19 | 2 | 6 | 7.3 | NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2010.11.088 | ||
| 51003591 | 56461 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 661 | 19 | 2 | 6 | 7.3 | NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCc1c[nH]c2ccccc12 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL1643110 | 56461 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 661 | 19 | 2 | 6 | 7.3 | NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCc1c[nH]c2ccccc12 | 10.1016/j.ejmech.2018.11.030 | ||
| 51003591 | 56461 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 661 | 19 | 2 | 6 | 7.3 | NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCc1c[nH]c2ccccc12 | 10.1039/C4MD00074A | ||
| CHEMBL1643110 | 56461 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 661 | 19 | 2 | 6 | 7.3 | NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCc1c[nH]c2ccccc12 | 10.1039/C4MD00074A | ||
| 155546826 | 173077 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 4.1 | c1ccc(Cn2c(CCc3c[nH]cn3)nnc2CCc2c[nH]c3ccccc23)cc1 | 10.1039/C8MD00388B | ||
| CHEMBL4534401 | 173077 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 4.1 | c1ccc(Cn2c(CCc3c[nH]cn3)nnc2CCc2c[nH]c3ccccc23)cc1 | 10.1039/C8MD00388B | ||
| 86292350 | 118316 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 303 | 3 | 2 | 4 | 1.8 | CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@H]21)c1noc2c(F)cccc12 | 10.1021/ml500538a | ||
| CHEMBL3421844 | 118316 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 303 | 3 | 2 | 4 | 1.8 | CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@H]21)c1noc2c(F)cccc12 | 10.1021/ml500538a | ||
| 10602230 | 33745 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 526 | 9 | 3 | 4 | 4.6 | S=C(NCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL142422 | 33745 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 526 | 9 | 3 | 4 | 4.6 | S=C(NCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 10578474 | 33965 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 5.1 | S=C(NCCCN1CCCC1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL142613 | 33965 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 5.1 | S=C(NCCCN1CCCC1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 155555535 | 173869 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.4 | Clc1ccc(Cc2nnc(CCc3c[nH]cn3)n2CCc2c[nH]c3ccccc23)cc1Cl | 10.1039/C8MD00388B | ||
| CHEMBL4553349 | 173869 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.4 | Clc1ccc(Cc2nnc(CCc3c[nH]cn3)n2CCc2c[nH]c3ccccc23)cc1Cl | 10.1039/C8MD00388B | ||
| 90665459 | 108772 | 0 | None | 4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 646 | 11 | 3 | 6 | 2.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| CHEMBL3218121 | 108772 | 0 | None | 4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 646 | 11 | 3 | 6 | 2.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| 142471716 | 190896 | 0 | None | 208 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5193686 | 190896 | 0 | None | 208 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471767 | 191684 | 0 | None | 1348 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5205904 | 191684 | 0 | None | 1348 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL442494 | 212165 | 0 | None | -17 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm0005048 | ||||
| 142471772 | 190584 | 0 | None | 870 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 9 | 2 | 4 | 5.3 | Brc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5189042 | 190584 | 0 | None | 870 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 9 | 2 | 4 | 5.3 | Brc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL1823873 | 207288 | 7 | None | -18 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | ||||
| 100930865 | 34567 | 0 | None | 91 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 488 | 12 | 2 | 4 | 4.5 | C/S(=N/CCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | ||
| 44362068 | 34567 | 0 | None | 91 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 488 | 12 | 2 | 4 | 4.5 | C/S(=N/CCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | ||
| CHEMBL143100 | 34567 | 0 | None | 91 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 488 | 12 | 2 | 4 | 4.5 | C/S(=N/CCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | ||
| 10580397 | 98857 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 677 | 20 | 3 | 7 | 6.9 | NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL282129 | 98857 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 677 | 20 | 3 | 7 | 6.9 | NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL3349602 | 209685 | 0 | None | -1258 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | ||||
| 10094509 | 130164 | 0 | None | -138 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 435 | 7 | 4 | 3 | 5.5 | COc1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL368334 | 130164 | 0 | None | -138 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 435 | 7 | 4 | 3 | 5.5 | COc1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| 142471828 | 191474 | 0 | None | 134 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1cc(Cl)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5202717 | 191474 | 0 | None | 134 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1cc(Cl)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 10769191 | 33570 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 557 | 11 | 2 | 4 | 5.5 | S=C(NCCCN1CCCC1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL142283 | 33570 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 557 | 11 | 2 | 4 | 5.5 | S=C(NCCCN1CCCC1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 10841338 | 33885 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 602 | 10 | 3 | 4 | 7.3 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1cccc(-c2c[nH]cn2)c1 | 10.1021/jm980118e | ||
| CHEMBL142549 | 33885 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 602 | 10 | 3 | 4 | 7.3 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1cccc(-c2c[nH]cn2)c1 | 10.1021/jm980118e | ||
| 10531093 | 167701 | 0 | None | 10 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 568 | 12 | 3 | 4 | 5.8 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH]cn1 | 10.1021/jm980118e | ||
| CHEMBL433872 | 167701 | 0 | None | 10 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 568 | 12 | 3 | 4 | 5.8 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH]cn1 | 10.1021/jm980118e | ||
| 11828523 | 193335 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 669 | 20 | 3 | 9 | 5.5 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 | 10.1021/jm0205088 | ||
| CHEMBL54832 | 193335 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 669 | 20 | 3 | 9 | 5.5 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 | 10.1021/jm0205088 | ||
| 155565048 | 174928 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 484 | 10 | 1 | 8 | 3.3 | CC(=O)O[C@H]1CN(Cc2cccc3ccccc23)[C@H](CCCCCN)[C@@H](OC(C)=O)[C@@H]1OC(C)=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4577766 | 174928 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 484 | 10 | 1 | 8 | 3.3 | CC(=O)O[C@H]1CN(Cc2cccc3ccccc23)[C@H](CCCCCN)[C@@H](OC(C)=O)[C@@H]1OC(C)=O | 10.1016/j.ejmech.2018.11.030 | ||
| 122181226 | 121331 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 484 | 10 | 1 | 8 | 3.3 | CC(=O)O[C@H]1CN(Cc2ccc3ccccc3c2)[C@H](CCCCCN)[C@@H](OC(C)=O)[C@@H]1OC(C)=O | 10.1039/C4MD00074A | ||
| CHEMBL3589941 | 121331 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 484 | 10 | 1 | 8 | 3.3 | CC(=O)O[C@H]1CN(Cc2ccc3ccccc3c2)[C@H](CCCCCN)[C@@H](OC(C)=O)[C@@H]1OC(C)=O | 10.1039/C4MD00074A | ||
| 142471733 | 189971 | 0 | None | 75 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 7 | 2 | 4 | 4.4 | CC(C)(C)Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5180116 | 189971 | 0 | None | 75 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 7 | 2 | 4 | 4.4 | CC(C)(C)Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| 11050695 | 193813 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 679 | 20 | 2 | 8 | 6.7 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccncc1 | 10.1021/jm0205088 | ||
| CHEMBL55298 | 193813 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 679 | 20 | 2 | 8 | 6.7 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccncc1 | 10.1021/jm0205088 | ||
| CHEMBL2369734 | 207917 | 0 | None | -8 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)N(C)C1=O | 10.1021/jm0005048 | ||||
| 168295000 | 191874 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5208764 | 191874 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 56651207 | 175324 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 655 | 10 | 5 | 9 | 3.6 | NC/C=C/CO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2/C=C/COC[C@@H](OCc2ccccc2)[C@H]1O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4586779 | 175324 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 655 | 10 | 5 | 9 | 3.6 | NC/C=C/CO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2/C=C/COC[C@@H](OCc2ccccc2)[C@H]1O | 10.1016/j.ejmech.2018.11.030 | ||
| 44385712 | 60025 | 0 | None | -8 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 343 | 5 | 4 | 2 | 4.4 | CC(=N)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL174490 | 60025 | 0 | None | -8 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 343 | 5 | 4 | 2 | 4.4 | CC(=N)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| 90644981 | 111321 | 0 | None | -660 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287613 | 111321 | 0 | None | -660 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 9893924 | 4680 | 27 | None | 52 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1039/C8MD00388B | ||
| CHEMBL103769 | 4680 | 27 | None | 52 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1039/C8MD00388B | ||
| 9893924 | 4680 | 27 | None | 52 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL103769 | 4680 | 27 | None | 52 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 9893924 | 4680 | 27 | None | 52 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm0108449 | ||
| CHEMBL103769 | 4680 | 27 | None | 52 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm0108449 | ||
| 168283525 | 190493 | 0 | None | 851 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 439 | 8 | 2 | 5 | 4.3 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5187631 | 190493 | 0 | None | 851 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 439 | 8 | 2 | 5 | 4.3 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL1791304 | 207178 | 0 | None | -25 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | ||||
| 91809284 | 125240 | 0 | None | -288 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1896 | 34 | 20 | 20 | 5.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647685 | 125240 | 0 | None | -288 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1896 | 34 | 20 | 20 | 5.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 91809277 | 125233 | 0 | None | -204 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1457 | 23 | 16 | 14 | 3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3647678 | 125233 | 0 | None | -204 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1457 | 23 | 16 | 14 | 3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3349603 | 209686 | 0 | None | -999 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | NCCCCCNC(=O)O[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 | 10.1021/jm021093t | ||||
| 168283125 | 190483 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 9 | 2 | 4 | 5.2 | NCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5187484 | 190483 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 9 | 2 | 4 | 5.2 | NCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1 | 10.1039/D1MD00044F | ||
| 2055 | 2863 | 43 | None | -501 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | ||||
| 383414 | 2863 | 43 | None | -501 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | ||||
| 90488715 | 2863 | 43 | None | -501 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | ||||
| CHEMBL1680 | 2863 | 43 | None | -501 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | ||||
| CHEMBL262746 | 2863 | 43 | None | -501 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | ||||
| DB00104 | 2863 | 43 | None | -501 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | ||||
| 44386389 | 129561 | 0 | None | -13 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 6 | 4 | 2 | 6.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL367699 | 129561 | 0 | None | -13 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 6 | 4 | 2 | 6.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL406738 | 210871 | 0 | None | -8 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 10887003 | 193046 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 697 | 20 | 2 | 8 | 6.9 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(F)nc1 | 10.1021/jm0205088 | ||
| CHEMBL53440 | 193046 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 697 | 20 | 2 | 8 | 6.9 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(F)nc1 | 10.1021/jm0205088 | ||
| 155528330 | 170774 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 513 | 11 | 5 | 7 | 2.5 | Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OCCCCN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4461404 | 170774 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 513 | 11 | 5 | 7 | 2.5 | Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OCCCCN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL2372959 | 208580 | 0 | None | -2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)C2Cc3ccccc3C2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)C2Cc3ccccc3C2)NC1=O | 10.1021/jm9806289 | ||||
| 9827283 | 78178 | 0 | None | -147 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 499 | 9 | 4 | 3 | 4.1 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | ||
| CHEMBL2112223 | 78178 | 0 | None | -147 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 499 | 9 | 4 | 3 | 4.1 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | ||
| 44820544 | 52125 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 396 | 9 | 4 | 4 | 2.5 | S=C(NCCCNc1ccc(Br)cn1)NCCCc1c[nH]cn1 | 10.1039/c1md00200g | ||
| CHEMBL1590268 | 52125 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 396 | 9 | 4 | 4 | 2.5 | S=C(NCCCNc1ccc(Br)cn1)NCCCc1c[nH]cn1 | 10.1039/c1md00200g | ||
| 142471923 | 191314 | 0 | None | 512 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 488 | 10 | 2 | 6 | 3.9 | CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5200112 | 191314 | 0 | None | 512 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 488 | 10 | 2 | 6 | 3.9 | CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 168271446 | 190011 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 4.2 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5180752 | 190011 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 4.2 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 91809303 | 125257 | 0 | None | -22 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1659 | 28 | 18 | 16 | 3.8 | CC(=O)N(CCC(=O)N[C@@H](CN[C@@H]1CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)Cc1ccc(O)cc1)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | ||
| CHEMBL3647702 | 125257 | 0 | None | -22 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1659 | 28 | 18 | 16 | 3.8 | CC(=O)N(CCC(=O)N[C@@H](CN[C@@H]1CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)Cc1ccc(O)cc1)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | ||
| 142471692 | 191784 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5207543 | 191784 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 10 | 2 | 5 | 4.5 | COc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 10554498 | 31074 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 10 | 3 | 4 | 5.0 | S=C(NCCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL140151 | 31074 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 10 | 3 | 4 | 5.0 | S=C(NCCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 117711399 | 118317 | 0 | None | 104 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 3 | 2 | 4 | 1.8 | Cc1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc2n1 | 10.1021/ml500538a | ||
| CHEMBL3421845 | 118317 | 0 | None | 104 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 3 | 2 | 4 | 1.8 | Cc1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc2n1 | 10.1021/ml500538a | ||
| CHEMBL1791305 | 207179 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cnccn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | ||||
| 10528970 | 34209 | 0 | None | 4 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 486 | 11 | 2 | 5 | 4.0 | S=C(NCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| CHEMBL142822 | 34209 | 0 | None | 4 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 486 | 11 | 2 | 5 | 4.0 | S=C(NCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| 10720221 | 34863 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 500 | 12 | 2 | 5 | 4.4 | S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| CHEMBL143367 | 34863 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 500 | 12 | 2 | 5 | 4.4 | S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | ||
| 127032865 | 138232 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 393 | 6 | 1 | 3 | 5.4 | NCCCc1cc(Cl)cc2c1OC(CCc1cccc3ccccc13)CC2=O | 10.1016/j.ejmech.2016.02.046 | ||
| CHEMBL3780496 | 138232 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 393 | 6 | 1 | 3 | 5.4 | NCCCc1cc(Cl)cc2c1OC(CCc1cccc3ccccc13)CC2=O | 10.1016/j.ejmech.2016.02.046 | ||
| 44385652 | 60073 | 0 | None | -28 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 405 | 6 | 4 | 2 | 5.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccccc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL174872 | 60073 | 0 | None | -28 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 405 | 6 | 4 | 2 | 5.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccccc1 | 10.1016/s0960-894x(01)00107-x | ||
| 2070 | 690 | 3 | None | -11220 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| 9802572 | 690 | 3 | None | -11220 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| CHEMBL2069499 | 690 | 3 | None | -11220 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| 44361984 | 34196 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 510 | 12 | 2 | 3 | 5.7 | S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCc1ccccc1 | 10.1021/jm980118e | ||
| CHEMBL142811 | 34196 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 510 | 12 | 2 | 3 | 5.7 | S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCc1ccccc1 | 10.1021/jm980118e | ||
| 10793795 | 34993 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 605 | 9 | 2 | 4 | 7.5 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc(N2CCCCC2)cc1 | 10.1021/jm980118e | ||
| CHEMBL143539 | 34993 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 605 | 9 | 2 | 4 | 7.5 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc(N2CCCCC2)cc1 | 10.1021/jm980118e | ||
| 168286554 | 190809 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 324 | 6 | 2 | 4 | 2.8 | Fc1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5192578 | 190809 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 324 | 6 | 2 | 4 | 2.8 | Fc1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 90665460 | 108773 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 793 | 13 | 3 | 7 | 3.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| CHEMBL3218122 | 108773 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 793 | 13 | 3 | 7 | 3.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| 155529288 | 170831 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1072 | 19 | 12 | 13 | 0.7 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| CHEMBL4462329 | 170831 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1072 | 19 | 12 | 13 | 0.7 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2018.11.030 | ||
| 44377555 | 57227 | 0 | None | -12 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 5.2 | NCCCc1nc(-c2csc3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL166247 | 57227 | 0 | None | -12 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 5.2 | NCCCc1nc(-c2csc3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | ||
| 71458043 | 78493 | 0 | None | -6 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 4.3 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL2112934 | 78493 | 0 | None | -6 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 4.3 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL410181 | 211058 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 44397389 | 123526 | 0 | None | -43 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL363092 | 123526 | 0 | None | -43 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL1791304 | 207178 | 0 | None | -25 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | ||||
| CHEMBL2369719 | 207912 | 0 | None | -3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | ||||
| 168297256 | 191813 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5208037 | 191813 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 11705763 | 167752 | 0 | None | -2089 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL434159 | 167752 | 0 | None | -2089 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| 10768264 | 34629 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 10 | 2 | 4 | 5.0 | CN(C)CCC/N=C(\S)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| CHEMBL143164 | 34629 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 10 | 2 | 4 | 5.0 | CN(C)CCC/N=C(\S)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | ||
| 15965425 | 2176 | 4 | None | -8128 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | ||
| 2046 | 2176 | 4 | None | -8128 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | ||
| CHEMBL99895 | 2176 | 4 | None | -8128 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | ||
| 168274078 | 189694 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 320 | 7 | 2 | 4 | 2.9 | c1ccc2c(CCc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5175762 | 189694 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 320 | 7 | 2 | 4 | 2.9 | c1ccc2c(CCc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 44363816 | 39437 | 0 | None | -22 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 589 | 14 | 3 | 5 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | ||
| CHEMBL147499 | 39437 | 0 | None | -22 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 589 | 14 | 3 | 5 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | ||
| CHEMBL407496 | 210918 | 0 | None | -27 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(F)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| CHEMBL2372964 | 208585 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(F)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | ||||
| 10963480 | 100300 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 679 | 20 | 2 | 8 | 6.7 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccn1 | 10.1021/jm0205088 | ||
| CHEMBL292906 | 100300 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 679 | 20 | 2 | 8 | 6.7 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccn1 | 10.1021/jm0205088 | ||
| CHEMBL2372961 | 208582 | 0 | None | -74 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | ||||
| 91809275 | 125231 | 0 | None | -776 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1603 | 27 | 18 | 17 | 3.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647676 | 125231 | 0 | None | -776 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1603 | 27 | 18 | 17 | 3.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 142471746 | 190120 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 486 | 10 | 2 | 4 | 6.2 | c1ccc(-c2ccc(Cc3nnc(CCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)cc2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5182380 | 190120 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 486 | 10 | 2 | 4 | 6.2 | c1ccc(-c2ccc(Cc3nnc(CCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)cc2)cc1 | 10.1039/D1MD00044F | ||
| 11800917 | 34887 | 0 | None | 20 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1c[nH]cn1 | 10.1021/jm980118e | ||
| CHEMBL143409 | 34887 | 0 | None | 20 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1c[nH]cn1 | 10.1021/jm980118e | ||
| 11112736 | 16352 | 0 | None | -8128 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL1237140 | 16352 | 0 | None | -8128 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL1788167 | 16352 | 0 | None | -8128 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL2370166 | 208060 | 0 | None | -120 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccccc1)N1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C1=O | 10.1021/jm970393l | ||||
| 168271928 | 189490 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 306 | 6 | 2 | 4 | 2.7 | c1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5172730 | 189490 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 306 | 6 | 2 | 4 | 2.7 | c1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 2078 | 614 | 0 | None | -1 | 2 | Mouse | 7.4 | pKd | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 12595949 | ||||
| 73755026 | 614 | 0 | None | -1 | 2 | Mouse | 7.4 | pKd | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 12595949 | ||||
| 2078 | 614 | 0 | None | 1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12595949 | ||||
| 73755026 | 614 | 0 | None | 1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12595949 | ||||
| 2055 | 2863 | 43 | 125I-Tyr11-SRIF | 1 | 14 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-Tyr11-SRIF | 1 | 14 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-Tyr11-SRIF | 1 | 14 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-Tyr11-SRIF | 1 | 14 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-Tyr11-SRIF | 1 | 14 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-Tyr11-SRIF | 1 | 14 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 16161315 | 214325 | 0 | 125I-Tyr11-somatostatin-14 | -9 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| None | 214598 | 0 | Functional | 537 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 485 | 11 | 4 | 4 | 3.1 | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C(C=C(C=C12)F)F)C3=CC=CC=C3 | None | ||
| 16161315 | 214325 | 0 | UNDEFINED | -9 | 13 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-LTT-SST-28 | -9 | 13 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2055 | 2863 | 43 | 125I-CGP23996 | 1 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-CGP23996 | 1 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-CGP23996 | 1 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-CGP23996 | 1 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-CGP23996 | 1 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-CGP23996 | 1 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 16161315 | 214325 | 0 | 125I-Tyr11-SRIF-14 | -9 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| None | 214598 | 0 | 125I-LTT-SST-28 | 537 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 485 | 11 | 4 | 4 | 3.1 | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C(C=C(C=C12)F)F)C3=CC=CC=C3 | None | ||
| None | 214598 | 0 | UNDEFINED | 537 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 485 | 11 | 4 | 4 | 3.1 | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C(C=C(C=C12)F)F)C3=CC=CC=C3 | None | ||
| 16161315 | 214325 | 0 | 125I-CGP23996 | -18 | 13 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-Tyr11-somatostatin | -18 | 13 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-LTT-SST-28 | -9 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-Tyr11-SRIF | -9 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-Tyr11-SRIF | -9 | 13 | Mouse | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-LTT-SRIF28 | -9 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-SRIF-28 | -9 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-SOMATOSTATIN 14 | -9 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-SRIF | -9 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-CGP23996 | -9 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2055 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 16161315 | 214325 | 0 | 125I-Tyr11-SRIF | -9 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-LTT-SST-28 | -9 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-LTT-SST-28 | -9 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-SOMATOSTATIN | -9 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-Tyr11-somatostatin-14 | -9 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2055 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-SOMATOSTATIN | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-SOMATOSTATIN 14 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-SRIF | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-SRIF-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | UNDEFINED | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-Tyr11-SRIF | -3090 | 14 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-SOMATOSTATIN | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-SOMATOSTATIN 14 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-SRIF | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-SRIF-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | UNDEFINED | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-Tyr11-SRIF | -3090 | 14 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-SOMATOSTATIN | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-SOMATOSTATIN 14 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-SRIF | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-SRIF-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | UNDEFINED | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-Tyr11-SRIF | -3090 | 14 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-SOMATOSTATIN | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-SOMATOSTATIN 14 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-SRIF | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-SRIF-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | UNDEFINED | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-Tyr11-SRIF | -3090 | 14 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-SOMATOSTATIN | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-SOMATOSTATIN 14 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-SRIF | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-SRIF-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | UNDEFINED | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-Tyr11-SRIF | -3090 | 14 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-SOMATOSTATIN | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-SOMATOSTATIN 14 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-SRIF | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-SRIF-28 | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | UNDEFINED | -501 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-Tyr11-SRIF | -3090 | 14 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214326 | 0 | 125I-SOMATOSTATIN | -1288 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214326 | 0 | 125I-SRIF | -1288 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214326 | 0 | 125I-SRIF-28 | -1288 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214326 | 0 | 125I-Tyr11-SRIF | -6025 | 12 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| 2247 | 502 | 77 | UNDEFINED | -5754 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 502 | 77 | UNDEFINED | -5754 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 502 | 77 | UNDEFINED | -5754 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 502 | 77 | UNDEFINED | -5754 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 502 | 77 | UNDEFINED | -5754 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 46882665 | 5556 | 0 | UNDEFINED | -15 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cccnc4o3)CC2)ccc1OC | None | ||
| CHEMBL1077721 | 5556 | 0 | UNDEFINED | -15 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cccnc4o3)CC2)ccc1OC | None | ||
| 46882666 | 5557 | 0 | UNDEFINED | -13 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4ccncc4o3)CC2)ccc1OC | None | ||
| CHEMBL1077722 | 5557 | 0 | UNDEFINED | -13 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4ccncc4o3)CC2)ccc1OC | None | ||
| 46882746 | 5561 | 0 | UNDEFINED | -21 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 1 | 6 | 3.9 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC | None | ||
| CHEMBL1077742 | 5561 | 0 | UNDEFINED | -21 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 1 | 6 | 3.9 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC | None | ||
| 24740861 | 5602 | 0 | UNDEFINED | -20 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 399 | 8 | 1 | 6 | 4.3 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCCF | None | ||
| CHEMBL1077877 | 5602 | 0 | UNDEFINED | -20 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 399 | 8 | 1 | 6 | 4.3 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCCF | None | ||
| 46882789 | 5603 | 0 | UNDEFINED | -19 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 5 | 5.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C(F)(F)F | None | ||
| CHEMBL1077887 | 5603 | 0 | UNDEFINED | -19 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 5 | 5.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C(F)(F)F | None | ||
| 46882181 | 5605 | 0 | UNDEFINED | -50 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 10 | 2 | 8 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1077908 | 5605 | 0 | UNDEFINED | -50 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 10 | 2 | 8 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC | None | ||
| 46882790 | 5626 | 0 | UNDEFINED | -18 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 407 | 8 | 1 | 6 | 4.8 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC1CC1 | None | ||
| CHEMBL1078081 | 5626 | 0 | UNDEFINED | -18 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 407 | 8 | 1 | 6 | 4.8 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC1CC1 | None | ||
| 46882620 | 5639 | 0 | UNDEFINED | -28 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 465 | 8 | 1 | 7 | 5.2 | CCOc1cc(CN2CCC(Nc3nc4cc(OC(F)(F)F)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1078215 | 5639 | 0 | UNDEFINED | -28 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 465 | 8 | 1 | 7 | 5.2 | CCOc1cc(CN2CCC(Nc3nc4cc(OC(F)(F)F)ccc4o3)CC2)ccc1OC | None | ||
| 46882664 | 5641 | 0 | UNDEFINED | -28 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 494 | 8 | 2 | 8 | 3.6 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC | None | ||
| CHEMBL1078240 | 5641 | 0 | UNDEFINED | -28 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 494 | 8 | 2 | 8 | 3.6 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC | None | ||
| 46882621 | 5646 | 0 | UNDEFINED | -28 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 438 | 8 | 2 | 7 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(C)=O)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1078283 | 5646 | 0 | UNDEFINED | -28 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 438 | 8 | 2 | 7 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(C)=O)ccc4o3)CC2)ccc1OC | None | ||
| 46882831 | 5667 | 0 | UNDEFINED | -301 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 8 | 2 | 7 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1N | None | ||
| CHEMBL1078449 | 5667 | 0 | UNDEFINED | -301 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 8 | 2 | 7 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1N | None | ||
| 46882832 | 5669 | 0 | UNDEFINED | -64 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 467 | 10 | 1 | 8 | 4.9 | CCOC(=O)c1c(OCC)cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC | None | ||
| CHEMBL1078450 | 5669 | 0 | UNDEFINED | -64 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 467 | 10 | 1 | 8 | 4.9 | CCOC(=O)c1c(OCC)cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC | None | ||
| 11848626 | 5670 | 0 | UNDEFINED | -56 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 413 | 8 | 1 | 6 | 4.8 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1F | None | ||
| CHEMBL1078451 | 5670 | 0 | UNDEFINED | -56 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 413 | 8 | 1 | 6 | 4.8 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1F | None | ||
| 46882622 | 5685 | 0 | UNDEFINED | -44 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 488 | 9 | 1 | 8 | 3.6 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1078528 | 5685 | 0 | UNDEFINED | -44 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 488 | 9 | 1 | 8 | 3.6 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)ccc1OC | None | ||
| 11848625 | 5715 | 0 | UNDEFINED | -107 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | None | ||
| CHEMBL1078745 | 5715 | 0 | UNDEFINED | -107 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | None | ||
| 46882708 | 5726 | 0 | UNDEFINED | -26 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 380 | 7 | 2 | 6 | 4.3 | CCNc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1078841 | 5726 | 0 | UNDEFINED | -26 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 380 | 7 | 2 | 6 | 4.3 | CCNc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
| 11848833 | 5730 | 0 | UNDEFINED | -323 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 423 | 8 | 1 | 6 | 5.5 | CC(C)Oc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC(C)C)c1 | None | ||
| CHEMBL1078895 | 5730 | 0 | UNDEFINED | -323 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 423 | 8 | 1 | 6 | 5.5 | CC(C)Oc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC(C)C)c1 | None | ||
| 46882133 | 5731 | 0 | UNDEFINED | -54 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1078896 | 5731 | 0 | UNDEFINED | -54 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | None | ||
| 46882445 | 5734 | 0 | UNDEFINED | -30 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 6 | 1 | 6 | 4.8 | CCOc1cc(N2CCC(Nc3nc4ccccc4s3)CC2)ccc1OC | None | ||
| CHEMBL1078903 | 5734 | 0 | UNDEFINED | -30 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 6 | 1 | 6 | 4.8 | CCOc1cc(N2CCC(Nc3nc4ccccc4s3)CC2)ccc1OC | None | ||
| 46882180 | 5764 | 0 | UNDEFINED | -39 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 482 | 7 | 2 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F | None | ||
| CHEMBL1079180 | 5764 | 0 | UNDEFINED | -39 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 482 | 7 | 2 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F | None | ||
| 46882577 | 5780 | 1 | UNDEFINED | -51 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 415 | 7 | 1 | 6 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1079312 | 5780 | 1 | UNDEFINED | -51 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 415 | 7 | 1 | 6 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)ccc4o3)CC2)ccc1OC | None | ||
| 46882578 | 5781 | 0 | UNDEFINED | -51 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 9 | 1 | 8 | 4.1 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1079313 | 5781 | 0 | UNDEFINED | -51 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 9 | 1 | 8 | 4.1 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC | None | ||
| 46882579 | 5782 | 0 | UNDEFINED | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 1 | 8 | 4.2 | CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1079314 | 5782 | 0 | UNDEFINED | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 1 | 8 | 4.2 | CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)ccc1OC | None | ||
| 46882182 | 5844 | 0 | UNDEFINED | -190 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 567 | 11 | 1 | 9 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1 | None | ||
| CHEMBL1079686 | 5844 | 0 | UNDEFINED | -190 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 567 | 11 | 1 | 9 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1 | None | ||
| 16062555 | 5879 | 0 | UNDEFINED | -562 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 457 | 9 | 2 | 7 | 4.5 | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)cc(OCC)c1F | None | ||
| CHEMBL1079874 | 5879 | 0 | UNDEFINED | -562 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 457 | 9 | 2 | 7 | 4.5 | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)cc(OCC)c1F | None | ||
| 11848835 | 5986 | 0 | UNDEFINED | -1258 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 456 | 9 | 2 | 7 | 3.9 | CCOc1cc(CN2CCC(Nc3nc4cc(C(N)=O)ccc4o3)CC2)cc(OCC)c1F | None | ||
| CHEMBL1080584 | 5986 | 0 | UNDEFINED | -1258 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 456 | 9 | 2 | 7 | 3.9 | CCOc1cc(CN2CCC(Nc3nc4cc(C(N)=O)ccc4o3)CC2)cc(OCC)c1F | None | ||
| 16062816 | 5987 | 0 | UNDEFINED | -3311 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(C(=O)O)ccc4o3)CC2)cc(OCC)c1Cl | None | ||
| CHEMBL1080585 | 5987 | 0 | UNDEFINED | -3311 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(C(=O)O)ccc4o3)CC2)cc(OCC)c1Cl | None | ||
| 16062553 | 5988 | 0 | UNDEFINED | -436 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 429 | 7 | 2 | 6 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)ccc1Cl | None | ||
| CHEMBL1080586 | 5988 | 0 | UNDEFINED | -436 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 429 | 7 | 2 | 6 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)ccc1Cl | None | ||
| 46882225 | 6070 | 0 | UNDEFINED | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 526 | 9 | 2 | 8 | 4.1 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)cc(OCC)c1F | None | ||
| CHEMBL1080950 | 6070 | 0 | UNDEFINED | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 526 | 9 | 2 | 8 | 4.1 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)cc(OCC)c1F | None | ||
| 46882226 | 6071 | 0 | UNDEFINED | -41 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 5 | 5.6 | CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4o3)CC2)ccc1Cl | None | ||
| CHEMBL1080951 | 6071 | 0 | UNDEFINED | -41 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 5 | 5.6 | CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4o3)CC2)ccc1Cl | None | ||
| 46882227 | 6099 | 0 | UNDEFINED | -57 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 540 | 10 | 2 | 10 | 3.8 | CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1081133 | 6099 | 0 | UNDEFINED | -57 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 540 | 10 | 2 | 10 | 3.8 | CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC | None | ||
| 46882517 | 6138 | 0 | UNDEFINED | -32 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 398 | 7 | 1 | 7 | 4.2 | CCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC | None | ||
| CHEMBL1081317 | 6138 | 0 | UNDEFINED | -32 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 398 | 7 | 1 | 7 | 4.2 | CCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC | None | ||
| 46882224 | 6271 | 0 | UNDEFINED | -181 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 9 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1 | None | ||
| CHEMBL1082036 | 6271 | 0 | UNDEFINED | -181 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 9 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1 | None | ||
| 46882516 | 6272 | 0 | UNDEFINED | -27 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 431 | 7 | 1 | 6 | 5.4 | CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4s3)CC2)ccc1OC | None | ||
| CHEMBL1082040 | 6272 | 0 | UNDEFINED | -27 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 431 | 7 | 1 | 6 | 5.4 | CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4s3)CC2)ccc1OC | None | ||
| 11848624 | 88716 | 0 | UNDEFINED | -245 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
| CHEMBL236587 | 88716 | 0 | UNDEFINED | -245 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
| 24740752 | 88717 | 0 | UNDEFINED | -436 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 409 | 8 | 1 | 6 | 4.9 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC(C)C | None | ||
| CHEMBL236588 | 88717 | 0 | UNDEFINED | -436 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 409 | 8 | 1 | 6 | 4.9 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC(C)C | None | ||
| 24740863 | 88728 | 0 | UNDEFINED | -134 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | None | ||
| CHEMBL236610 | 88728 | 0 | UNDEFINED | -134 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | None | ||
| 24740864 | 88729 | 0 | UNDEFINED | -269 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 365 | 6 | 1 | 5 | 4.6 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C | None | ||
| CHEMBL236611 | 88729 | 0 | UNDEFINED | -269 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 365 | 6 | 1 | 5 | 4.6 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C | None | ||
| 11848679 | 88814 | 0 | UNDEFINED | -776 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 489 | 9 | 3 | 9 | 2.9 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)cc(OCC)c1N | None | ||
| CHEMBL236788 | 88814 | 0 | UNDEFINED | -776 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 489 | 9 | 3 | 9 | 2.9 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)cc(OCC)c1N | None | ||
| 24740750 | 89277 | 0 | UNDEFINED | -151 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 6 | 4.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1O | None | ||
| CHEMBL237660 | 89277 | 0 | UNDEFINED | -151 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 6 | 4.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1O | None | ||
| 24740753 | 145584 | 0 | UNDEFINED | -33 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 8 | 1 | 6 | 4.7 | CCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
| CHEMBL391951 | 145584 | 0 | UNDEFINED | -33 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 8 | 1 | 6 | 4.7 | CCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
| 24740751 | 147348 | 0 | UNDEFINED | -120 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 421 | 7 | 1 | 6 | 5.2 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC1CCCC1 | None | ||
| CHEMBL393333 | 147348 | 0 | UNDEFINED | -120 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 421 | 7 | 1 | 6 | 5.2 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC1CCCC1 | None | ||
| 24740862 | 147476 | 0 | UNDEFINED | -51 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 6 | 1 | 5 | 4.4 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F | None | ||
| CHEMBL393436 | 147476 | 0 | UNDEFINED | -51 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 6 | 1 | 5 | 4.4 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F | None | ||
| 11848677 | 147820 | 0 | UNDEFINED | -32 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 460 | 8 | 2 | 8 | 3.0 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL393718 | 147820 | 0 | UNDEFINED | -32 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 460 | 8 | 2 | 8 | 3.0 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)ccc1OC | None | ||
| None | 214597 | 0 | 125I-LTT-SST-28 | -245 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | ||
| None | 214754 | 0 | 125I-LTT-SST-28 | -19952 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 215887 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 6 | 1 | 6 | 4.8 | CCOC1=C(C=CC(=C1)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)OC | None | ||
| None | 215888 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 397 | 7 | 1 | 6 | 4.8 | CCOC1=C(C=CC(=C1)NC2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC | None | ||
| None | 215889 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 425 | 7 | 1 | 6 | 4.6 | CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3)OC | None | ||
| None | 215890 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 397 | 7 | 2 | 6 | 5.5 | CCOC1=C(C=CC(=C1)NC2CCC(CC2)NC3=NC4=CC=CC=C4S3)OC | None | ||
| None | 215891 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 411 | 8 | 2 | 6 | 5.2 | CCOC1=C(C=CC(=C1)NC2CCC(CC2)NCC3=NC4=CC=CC=C4S3)OC | None | ||
| None | 215892 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 5 | 1 | 6 | 4.1 | CCOC1=C(C=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3)OC | None | ||
| None | 215893 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 405 | 8 | 2 | 6 | 6.1 | CCOC1=C(C=CC(=C1)NCC2=CC(=CC=C2)NC3=NC4=CC=CC=C4S3)OC | None | ||
| None | 215894 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=C(O3)C=CC=N4)OC | None | ||
| None | 215895 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 380 | 7 | 2 | 5 | 4.0 | CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4N3)OC | None | ||
| None | 215896 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOC1=C(N=CC(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4O3)OC | None | ||
| None | 215897 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 409 | 8 | 1 | 6 | 5.1 | CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4O3)OC(C)C | None | ||
| None | 215898 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 413 | 8 | 1 | 6 | 4.8 | CCOC1=CC(=C(C(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4O3)F)OCC | None | ||
| None | 215899 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 429 | 9 | 2 | 7 | 3.8 | CCOC1=C(C=C(C(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4O3)F)OCCO | None | ||
| 2054 | 3911 | 11 | 125I-CGP23996 | -446 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | 125I-CGP23996 | -446 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | 125I-CGP23996 | -446 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | 125I-CGP23996 | -446 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | 125I-CGP23996 | -446 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214326 | 0 | 125I-LTT-SST-28 | -1288 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| 13105142 | 214327 | 0 | UNDEFINED | -23442 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| 2054 | 3911 | 11 | 125I-SRIF-28 | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | 125I-SRIF-28 | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | 125I-SRIF-28 | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | 125I-SRIF-28 | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | 125I-SRIF-28 | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3911 | 11 | 125I-SRIF | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | 125I-SRIF | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | 125I-SRIF | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | 125I-SRIF | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | 125I-SRIF | -446 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214595 | 0 | 125I-Tyr11-somatostatin-14 | -57 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | ||
| None | 214595 | 0 | UNDEFINED | -57 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | ||
| 2054 | 3911 | 11 | 125I-Tyr11-SRIF | -575 | 11 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | 125I-Tyr11-SRIF | -575 | 11 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | 125I-Tyr11-SRIF | -575 | 11 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | 125I-Tyr11-SRIF | -575 | 11 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | 125I-Tyr11-SRIF | -575 | 11 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-Tyr10-CST14 | -501 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-Tyr10-CST14 | -501 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-Tyr10-CST14 | -501 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-Tyr10-CST14 | -501 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-Tyr10-CST14 | -501 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-Tyr10-CST14 | -501 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214595 | 0 | 125I-SOMATOSTATIN | -57 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | ||
| 2055 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-Tyr11-SRIF | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 16161315 | 214325 | 0 | 125I-Tyr11-SRIF | -18 | 13 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214325 | 0 | 125I-Tyr11-SRIF | -9 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2055 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-LTT-SST-28 | -501 | 14 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3911 | 11 | 125I-Tyr10-CST14 | -446 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | 125I-Tyr10-CST14 | -446 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | 125I-Tyr10-CST14 | -446 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | 125I-Tyr10-CST14 | -446 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | 125I-Tyr10-CST14 | -446 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214596 | 0 | 125I-LTT-SST-28 | -6165 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 585 | 8 | 5 | 5 | 4.2 | CC(C1=CNC2=CC=CC=C21)C(C(=O)NCC3CCCC(C3)CN)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O | None | ||
| None | 214596 | 0 | UNDEFINED | -6165 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 585 | 8 | 5 | 5 | 4.2 | CC(C1=CNC2=CC=CC=C21)C(C(=O)NCC3CCCC(C3)CN)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O | None | ||
| None | 214326 | 0 | 125I-Tyr11-SRIF | -1288 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| 2054 | 3911 | 11 | 125I-SOMATOSTATIN | -446 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | 125I-SOMATOSTATIN | -446 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | 125I-SOMATOSTATIN | -446 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | 125I-SOMATOSTATIN | -446 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | 125I-SOMATOSTATIN | -446 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-LTT-SRIF28 | -501 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 16161315 | 214325 | 0 | 125I-Tyr10-CST14 | -9 | 13 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 13105142 | 214327 | 0 | 125I-LTT-SRIF28 | -23442 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| 13105142 | 214327 | 0 | 125I-LTT-SRIF28 | -23442 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| 2054 | 3911 | 11 | 125I-LTT-SST-28 | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3911 | 11 | UNDEFINED | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | 125I-LTT-SST-28 | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | UNDEFINED | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | 125I-LTT-SST-28 | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | UNDEFINED | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | 125I-LTT-SST-28 | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | UNDEFINED | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | 125I-LTT-SST-28 | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | UNDEFINED | -446 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214326 | 0 | 125I-LTT-SST-28 | -1288 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214326 | 0 | 125I-CGP23996 | -38 | 12 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| 2054 | 3911 | 11 | 125I-LTT-SRIF28 | -446 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3911 | 11 | 125I-LTT-SRIF28 | -446 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3911 | 11 | 125I-LTT-SRIF28 | -446 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3911 | 11 | 125I-LTT-SRIF28 | -446 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3911 | 11 | 125I-LTT-SRIF28 | -446 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2863 | 43 | None | -501 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | None | -501 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | None | -501 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | None | -501 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | None | -501 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | None | -501 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| None | 214326 | 0 | 125I-LTT-SST-28 | -1288 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| 16161315 | 214325 | 0 | 125I-Tyr11-SRIF | -18 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2031 | 2241 | 0 | UNDEFINED | -112 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71349 | 2241 | 0 | UNDEFINED | -112 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB06791 | 2241 | 0 | UNDEFINED | -112 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214326 | 0 | 125I-Tyr11-SRIF | -1288 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214326 | 0 | 125I-Tyr11-SRIF | -38 | 12 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| 2055 | 2863 | 43 | 125I-Tyr11-somatostatin-14 | -501 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-Tyr11-somatostatin-14 | -501 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-Tyr11-somatostatin-14 | -501 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-Tyr11-somatostatin-14 | -501 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-Tyr11-somatostatin-14 | -501 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-Tyr11-somatostatin-14 | -501 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 13105142 | 214327 | 0 | 125I-Tyr10-CST14 | -23442 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| None | 214599 | 0 | 125I-LTT-SST-28 | -112 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 536 | 11 | 4 | 5 | 5.2 | CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)N | None | ||
| None | 214599 | 0 | UNDEFINED | -112 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 536 | 11 | 4 | 5 | 5.2 | CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)N | None | ||
| None | 214597 | 0 | 125I-LTT-SST-28 | -245 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | ||
| None | 214597 | 0 | UNDEFINED | -245 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | ||
| 16161315 | 214325 | 0 | None | -9 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 13105142 | 214327 | 0 | 125I-CGP23996 | -23442 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| 2055 | 2863 | 43 | 125I-CGP23996 | -501 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2863 | 43 | 125I-CGP23996 | -501 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2863 | 43 | 125I-CGP23996 | -501 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2863 | 43 | 125I-CGP23996 | -501 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2863 | 43 | 125I-CGP23996 | -501 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2863 | 43 | 125I-CGP23996 | -501 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2028 | 1478 | 0 | None | -398 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | None | None | None | None | 12616335 | ||||
| 2014 | 2184 | 0 | None | -35 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2014 | 2184 | 0 | None | -35 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2040 | 641 | 0 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 3513 | 2802 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 538 | 11 | 3 | 4 | 5.2 | O=C(NCCCc1cnc[nH]1)NCCCN(c1ccc(cn1)Br)Cc1ccc(c(c1)Cl)Cl | 9822540 | ||
| 5311371 | 2802 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 538 | 11 | 3 | 4 | 5.2 | O=C(NCCCc1cnc[nH]1)NCCCN(c1ccc(cn1)Br)Cc1ccc(c(c1)Cl)Cl | 9822540 | ||
| CHEMBL1474351 | 2802 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 538 | 11 | 3 | 4 | 5.2 | O=C(NCCCc1cnc[nH]1)NCCCN(c1ccc(cn1)Br)Cc1ccc(c(c1)Cl)Cl | 9822540 | ||
| 2004 | 635 | 0 | None | -4 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2069 | 645 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 16130961 | 878 | 0 | None | -2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 16130961 | 878 | 0 | None | -2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2005 | 878 | 0 | None | -2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2005 | 878 | 0 | None | -2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 10115 | 2079 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 468 | 10 | 4 | 5 | 1.4 | NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C | 15333679 | ||
| 11442741 | 2079 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 468 | 10 | 4 | 5 | 1.4 | NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C | 15333679 | ||
| CHEMBL4451852 | 2079 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 468 | 10 | 4 | 5 | 1.4 | NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C | 15333679 | ||
| 2082 | 2228 | 11 | None | 7079 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 9784130 | ||
| 5311374 | 2228 | 11 | None | 7079 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 9784130 | ||
| CHEMBL1450103 | 2228 | 11 | None | 7079 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 485 | 11 | 4 | 4 | 3.1 | COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N | 9784130 | ||
| 154734381 | 215985 | 0 | None | -1 | 9 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 1095 | 17 | 13 | 14 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 | None | ||
| 2066 | 3117 | 0 | None | -79 | 4 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | None | None | None | None | 10354394 | ||||
| 2029 | 2343 | 0 | None | -79 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12616335 | ||||
| 16133849 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 16133849 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 16133849 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 16133849 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 16133849 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 16133849 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2020 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2020 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 2020 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 2020 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 2020 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 2020 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 91935900 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 91935900 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 91935900 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 91935900 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 91935900 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 91935900 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| CHEMBL501796 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| CHEMBL501796 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| CHEMBL501796 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| CHEMBL501796 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| CHEMBL501796 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| CHEMBL501796 | 3619 | 10 | None | -15 | 9 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2007 | 1147 | 0 | None | -6 | 6 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2007 | 1147 | 0 | None | -6 | 6 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | ||||
| 2019 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | ||||
| 44386062 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | ||||
| CHEMBL440072 | 3618 | 0 | None | -4 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | ||||
| 2008 | 1186 | 0 | None | -1 | 6 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2008 | 1186 | 0 | None | -1 | 6 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||