Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 72943279 | 192206 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 425 | 3 | 2 | 4 | 5.5 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(C)cc(C)c4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4861425 | 192206 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 425 | 3 | 2 | 4 | 5.5 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(C)cc(C)c4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 164624123 | 192534 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 415 | 3 | 2 | 4 | 5.0 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4866325 | 192534 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 415 | 3 | 2 | 4 | 5.0 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 164623072 | 192954 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 5.1 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4872591 | 192954 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 5.1 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 164610567 | 191452 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 465 | 3 | 2 | 4 | 5.9 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4849848 | 191452 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 465 | 3 | 2 | 4 | 5.9 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 164614320 | 192165 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 431 | 3 | 2 | 4 | 5.5 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(Cl)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4860633 | 192165 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 431 | 3 | 2 | 4 | 5.5 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(Cl)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 118057812 | 192999 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 431 | 4 | 2 | 5 | 4.7 | COc1cc(F)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4873269 | 192999 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 431 | 4 | 2 | 5 | 4.7 | COc1cc(F)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 118057816 | 191691 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 419 | 3 | 2 | 4 | 4.8 | Cc1cc(F)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4853282 | 191691 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 419 | 3 | 2 | 4 | 4.8 | Cc1cc(F)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 164615920 | 192054 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 422 | 3 | 2 | 5 | 4.7 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(C#N)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4858892 | 192054 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 422 | 3 | 2 | 5 | 4.7 | Cc1cc(C)cc(-c2cncc(-c3nc4cc(C#N)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 2055 | 9682 | 48 | None | 8 | 5 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2021.116424 | ||||
| 383414 | 9682 | 48 | None | 8 | 5 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2021.116424 | ||||
| 90488715 | 9682 | 48 | None | 8 | 5 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2021.116424 | ||||
| CHEMBL1680 | 9682 | 48 | None | 8 | 5 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2021.116424 | ||||
| CHEMBL262746 | 9682 | 48 | None | 8 | 5 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2021.116424 | ||||
| DB00104 | 9682 | 48 | None | 8 | 5 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2021.116424 | ||||
| 72943278 | 192383 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 428 | 4 | 2 | 4 | 5.2 | Cc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4863880 | 192383 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 428 | 4 | 2 | 4 | 5.2 | Cc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 118057665 | 191180 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 428 | 4 | 2 | 4 | 5.2 | Cc1cc(C)cc(C(=O)Nc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4845867 | 191180 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 428 | 4 | 2 | 4 | 5.2 | Cc1cc(C)cc(C(=O)Nc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 164624692 | 192825 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 458 | 4 | 2 | 6 | 4.3 | Cc1cc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)n(C)n1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4870834 | 192825 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 458 | 4 | 2 | 6 | 4.3 | Cc1cc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)n(C)n1 | 10.1016/j.bmc.2021.116424 | ||
| 164622117 | 192263 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.5 | COc1cc(OC)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4862195 | 192263 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.5 | COc1cc(OC)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 118057675 | 193207 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 435 | 4 | 2 | 5 | 4.5 | COc1cc(F)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4876263 | 193207 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 435 | 4 | 2 | 5 | 4.5 | COc1cc(F)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 118057538 | 191605 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 397 | 3 | 2 | 4 | 4.8 | Cc1cc(C)cc(-c2cncc(-c3nc4ccccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4851978 | 191605 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 397 | 3 | 2 | 4 | 4.8 | Cc1cc(C)cc(-c2cncc(-c3nc4ccccc4[nH]3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 164627529 | 193386 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 439 | 3 | 2 | 4 | 5.2 | NC1CCN(c2c(-c3cc(F)cc(Cl)c3)cncc2-c2nc3cc(F)ccc3[nH]2)CC1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4878917 | 193386 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 439 | 3 | 2 | 4 | 5.2 | NC1CCN(c2c(-c3cc(F)cc(Cl)c3)cncc2-c2nc3cc(F)ccc3[nH]2)CC1 | 10.1016/j.bmc.2021.116424 | ||
| 164614581 | 191780 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 512 | 4 | 2 | 6 | 5.0 | Cn1ncc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)c1C(F)(F)F | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4854548 | 191780 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 512 | 4 | 2 | 6 | 5.0 | Cn1ncc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)c1C(F)(F)F | 10.1016/j.bmc.2021.116424 | ||
| 16129706 | 215810 | 40 | None | -4 | 12 | Human | 10.0 | pEC50 | = | 10 | Functional | 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.2005.05.061 | ||||
| CHEMBL1823872 | 215810 | 40 | None | -4 | 12 | Human | 10.0 | pEC50 | = | 10 | Functional | 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.2005.05.061 | ||||
| 162666722 | 189025 | 0 | None | -2 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)CC2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4783565 | 189025 | 0 | None | -2 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)CC2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762567 | 187056 | 0 | None | 64 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | 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 | 187056 | 0 | None | 64 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | 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 | ||
| 164624443 | 192284 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 458 | 4 | 2 | 6 | 4.3 | Cc1nn(C)cc1C(=O)Nc1cncc(-c2cc(Cl)cc(Cl)c2)c1N1CCC(N)CC1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4862497 | 192284 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 458 | 4 | 2 | 6 | 4.3 | Cc1nn(C)cc1C(=O)Nc1cncc(-c2cc(Cl)cc(Cl)c2)c1N1CCC(N)CC1 | 10.1016/j.bmc.2021.116424 | ||
| 140762567 | 187056 | 0 | None | 64 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | 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 | 187056 | 0 | None | 64 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | 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 | ||
| 164625441 | 192299 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 480 | 4 | 2 | 6 | 4.9 | NC1CCN(c2c(NC(=O)c3cn4ccccc4n3)cncc2-c2cc(Cl)cc(Cl)c2)CC1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4862717 | 192299 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 480 | 4 | 2 | 6 | 4.9 | NC1CCN(c2c(NC(=O)c3cn4ccccc4n3)cncc2-c2cc(Cl)cc(Cl)c2)CC1 | 10.1016/j.bmc.2021.116424 | ||
| 140762568 | 188043 | 0 | None | 51 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4761949 | 188043 | 0 | None | 51 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762568 | 188043 | 0 | None | 51 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4761949 | 188043 | 0 | None | 51 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762573 | 189156 | 0 | None | 79 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | 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 | 189156 | 0 | None | 79 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | 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 | ||
| 164610738 | 191759 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 440 | 4 | 2 | 4 | 5.2 | NC1CCN(c2c(NC(=O)c3ccccc3)cncc2-c2cc(Cl)cc(Cl)c2)CC1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4854239 | 191759 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 440 | 4 | 2 | 4 | 5.2 | NC1CCN(c2c(NC(=O)c3ccccc3)cncc2-c2cc(Cl)cc(Cl)c2)CC1 | 10.1016/j.bmc.2021.116424 | ||
| 139392666 | 196981 | 0 | None | -1 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | 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 | 196981 | 0 | None | -1 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | 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 | ||
| 124174645 | 189313 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 502 | 5 | 2 | 5 | 5.8 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4787292 | 189313 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 502 | 5 | 2 | 5 | 5.8 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 139392666 | 196981 | 0 | None | -1 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | 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 | 196981 | 0 | None | -1 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | 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 | ||
| 124174645 | 189313 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 502 | 5 | 2 | 5 | 5.8 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4787292 | 189313 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 502 | 5 | 2 | 5 | 5.8 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762551 | 187148 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 527 | 5 | 2 | 6 | 5.6 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4751583 | 187148 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 527 | 5 | 2 | 6 | 5.6 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 139392804 | 198382 | 1 | None | 1 | 5 | Rat | 9.4 | pEC50 | = | 9.4 | 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 | 198382 | 1 | None | 1 | 5 | Rat | 9.4 | pEC50 | = | 9.4 | 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 | ||
| 140762551 | 187148 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 527 | 5 | 2 | 6 | 5.6 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4751583 | 187148 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 527 | 5 | 2 | 6 | 5.6 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 162645609 | 186309 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 537 | 6 | 2 | 7 | 5.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(C(F)(F)F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4741372 | 186309 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 537 | 6 | 2 | 7 | 5.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(C(F)(F)F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 139392804 | 198382 | 1 | None | 1 | 5 | Rat | 9.4 | pEC50 | = | 9.4 | 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 | 198382 | 1 | None | 1 | 5 | Rat | 9.4 | pEC50 | = | 9.4 | 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 | ||
| 162645609 | 186309 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 537 | 6 | 2 | 7 | 5.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(C(F)(F)F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4741372 | 186309 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 537 | 6 | 2 | 7 | 5.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(C(F)(F)F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 164613012 | 191896 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 459 | 4 | 2 | 6 | 4.8 | Cc1nc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)c(C)o1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4856293 | 191896 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 459 | 4 | 2 | 6 | 4.8 | Cc1nc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)c(C)o1 | 10.1016/j.bmc.2021.116424 | ||
| 124168080 | 188613 | 0 | None | -11 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | 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 | 188613 | 0 | None | -11 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | 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 | ||
| 118057678 | 191882 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 400 | 4 | 2 | 4 | 4.5 | Cc1cc(C)cc(-c2cncc(NC(=O)c3ccccc3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4856084 | 191882 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 400 | 4 | 2 | 4 | 4.5 | Cc1cc(C)cc(-c2cncc(NC(=O)c3ccccc3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 162648021 | 186752 | 0 | None | 208 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | 186752 | 0 | None | 208 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | ||
| 162648021 | 186752 | 0 | None | 208 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | 186752 | 0 | None | 208 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | ||
| 90070268 | 193347 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 414 | 5 | 2 | 4 | 5.5 | Cc1cc(C)cc(CNc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4878248 | 193347 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 414 | 5 | 2 | 4 | 5.5 | Cc1cc(C)cc(CNc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 140762563 | 186880 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 486 | 5 | 2 | 5 | 5.2 | Cc1cc(F)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4748319 | 186880 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 486 | 5 | 2 | 5 | 5.2 | Cc1cc(F)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762563 | 186880 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 486 | 5 | 2 | 5 | 5.2 | Cc1cc(F)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4748319 | 186880 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 486 | 5 | 2 | 5 | 5.2 | Cc1cc(F)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 164619752 | 192684 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 385 | 3 | 1 | 3 | 5.6 | Cc1cc(C)cc(-c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4868777 | 192684 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 385 | 3 | 1 | 3 | 5.6 | Cc1cc(C)cc(-c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 140762295 | 187021 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 487 | 6 | 2 | 7 | 4.1 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4750168 | 187021 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 487 | 6 | 2 | 7 | 4.1 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 124167875 | 187401 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 4.3 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4754720 | 187401 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 4.3 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762470 | 188249 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 482 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4764543 | 188249 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 482 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762500 | 188512 | 0 | None | 3 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | 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 | 188512 | 0 | None | 3 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | 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 | ||
| 140762295 | 187021 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 487 | 6 | 2 | 7 | 4.1 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4750168 | 187021 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 487 | 6 | 2 | 7 | 4.1 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 124167875 | 187401 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 4.3 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4754720 | 187401 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 4.3 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762470 | 188249 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 482 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4764543 | 188249 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 482 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762500 | 188512 | 0 | None | 3 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | 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 | 188512 | 0 | None | 3 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | 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 | ||
| 140762358 | 186827 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 505 | 7 | 3 | 8 | 3.5 | CN(Cc1c(-c2cc(Cl)cc(CO)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4747697 | 186827 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 505 | 7 | 3 | 8 | 3.5 | CN(Cc1c(-c2cc(Cl)cc(CO)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762358 | 186827 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 505 | 7 | 3 | 8 | 3.5 | CN(Cc1c(-c2cc(Cl)cc(CO)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4747697 | 186827 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 505 | 7 | 3 | 8 | 3.5 | CN(Cc1c(-c2cc(Cl)cc(CO)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| 156238148 | 188846 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)ccc4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4781405 | 188846 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)ccc4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762455 | 189438 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.7 | CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(Cl)cc2N=CN1c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4788944 | 189438 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.7 | CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(Cl)cc2N=CN1c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762343 | 186280 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(C)cc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4741139 | 186280 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(C)cc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 162644318 | 188556 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 3.6 | CN(Cc1c(-c2cc(F)cc(F)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4777739 | 188556 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 3.6 | CN(Cc1c(-c2cc(F)cc(F)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762341 | 189137 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H]2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4784765 | 189137 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H]2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762569 | 187751 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 512 | 5 | 1 | 6 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4758568 | 187751 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 512 | 5 | 1 | 6 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762455 | 189438 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.7 | CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(Cl)cc2N=CN1c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4788944 | 189438 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.7 | CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(Cl)cc2N=CN1c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762343 | 186280 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(C)cc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4741139 | 186280 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cc(C)cc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762372 | 186534 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2(N)CCCC2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4744310 | 186534 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2(N)CCCC2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 162652429 | 187193 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 471 | 6 | 1 | 6 | 4.4 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4752223 | 187193 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 471 | 6 | 1 | 6 | 4.4 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762569 | 187751 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 512 | 5 | 1 | 6 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4758568 | 187751 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 512 | 5 | 1 | 6 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 162676783 | 190350 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 487 | 6 | 2 | 7 | 4.1 | Cc1cc(C)c(F)c(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4800376 | 190350 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 487 | 6 | 2 | 7 | 4.1 | Cc1cc(C)c(F)c(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 162644318 | 188556 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 3.6 | CN(Cc1c(-c2cc(F)cc(F)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4777739 | 188556 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 3.6 | CN(Cc1c(-c2cc(F)cc(F)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762484 | 190055 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 579 | 7 | 2 | 6 | 5.4 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(NS(C)(=O)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4796704 | 190055 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 579 | 7 | 2 | 6 | 5.4 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(NS(C)(=O)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762372 | 186534 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2(N)CCCC2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4744310 | 186534 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2(N)CCCC2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762484 | 190055 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 579 | 7 | 2 | 6 | 5.4 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(NS(C)(=O)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4796704 | 190055 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 579 | 7 | 2 | 6 | 5.4 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(NS(C)(=O)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 162676783 | 190350 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 487 | 6 | 2 | 7 | 4.1 | Cc1cc(C)c(F)c(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4800376 | 190350 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 487 | 6 | 2 | 7 | 4.1 | Cc1cc(C)c(F)c(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 44397389 | 130822 | 0 | None | 3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL363092 | 130822 | 0 | None | 3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| 124168074 | 186890 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 7 | 2 | 7 | 3.6 | CCN(CCN)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4748425 | 186890 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 7 | 2 | 7 | 3.6 | CCN(CCN)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12 | 10.1016/j.bmcl.2020.127496 | ||
| 124168074 | 186890 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 7 | 2 | 7 | 3.6 | CCN(CCN)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4748425 | 186890 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 7 | 2 | 7 | 3.6 | CCN(CCN)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12 | 10.1016/j.bmcl.2020.127496 | ||
| 140762488 | 189511 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 490 | 5 | 1 | 6 | 4.8 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cnn(C)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4789848 | 189511 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 490 | 5 | 1 | 6 | 4.8 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cnn(C)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 162652429 | 187193 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 6 | 1 | 6 | 4.4 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4752223 | 187193 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 6 | 1 | 6 | 4.4 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762439 | 187396 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 3.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C(C)CN)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4754672 | 187396 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 3.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C(C)CN)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 162666722 | 189025 | 0 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)CC2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4783565 | 189025 | 0 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)CC2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762488 | 189511 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 490 | 5 | 1 | 6 | 4.8 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cnn(C)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4789848 | 189511 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 490 | 5 | 1 | 6 | 4.8 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cnn(C)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762439 | 187396 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 3.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C(C)CN)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4754672 | 187396 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 3.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C(C)CN)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762334 | 188463 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 510 | 7 | 2 | 7 | 3.6 | CNC(=O)c1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4776516 | 188463 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 510 | 7 | 2 | 7 | 3.6 | CNC(=O)c1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 156238148 | 188846 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)ccc4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4781405 | 188846 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)ccc4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 44397706 | 73965 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL187768 | 73965 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| 140762334 | 188463 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 510 | 7 | 2 | 7 | 3.6 | CNC(=O)c1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4776516 | 188463 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 510 | 7 | 2 | 7 | 3.6 | CNC(=O)c1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762413 | 190360 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 493 | 6 | 2 | 7 | 4.1 | CN(Cc1c(-c2cc(F)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4800534 | 190360 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 493 | 6 | 2 | 7 | 4.1 | CN(Cc1c(-c2cc(F)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762383 | 187993 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 483 | 7 | 2 | 7 | 3.7 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(CO)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4761276 | 187993 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 483 | 7 | 2 | 7 | 3.7 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(CO)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 139392666 | 196981 | 0 | None | -1047 | 5 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 196981 | 0 | None | -1047 | 5 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
| 140762383 | 187993 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 483 | 7 | 2 | 7 | 3.7 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(CO)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4761276 | 187993 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 483 | 7 | 2 | 7 | 3.7 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(CO)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 162671015 | 189733 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 6 | 1 | 6 | 4.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4ccccc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4792889 | 189733 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 6 | 1 | 6 | 4.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4ccccc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762413 | 190360 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 493 | 6 | 2 | 7 | 4.1 | CN(Cc1c(-c2cc(F)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4800534 | 190360 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 493 | 6 | 2 | 7 | 4.1 | CN(Cc1c(-c2cc(F)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| 162671015 | 189733 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 6 | 1 | 6 | 4.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4ccccc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4792889 | 189733 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 6 | 1 | 6 | 4.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4ccccc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762327 | 186985 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4ccc(O)cc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4749667 | 186985 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4ccc(O)cc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762573 | 189156 | 0 | None | 79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | 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 | 189156 | 0 | None | 79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | 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 | ||
| 162656466 | 187610 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 509 | 6 | 2 | 7 | 4.6 | CN(Cc1c(-c2cc(Cl)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4756956 | 187610 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 509 | 6 | 2 | 7 | 4.6 | CN(Cc1c(-c2cc(Cl)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762445 | 187898 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4760476 | 187898 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762445 | 187898 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4760476 | 187898 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 162656466 | 187610 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 509 | 6 | 2 | 7 | 4.6 | CN(Cc1c(-c2cc(Cl)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4756956 | 187610 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 509 | 6 | 2 | 7 | 4.6 | CN(Cc1c(-c2cc(Cl)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762533 | 186728 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 522 | 5 | 1 | 4 | 6.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4746492 | 186728 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 522 | 5 | 1 | 4 | 6.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 90070225 | 191185 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 5 | 1 | 4 | 5.5 | Cc1cc(C)cc(OCc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4845931 | 191185 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 5 | 1 | 4 | 5.5 | Cc1cc(C)cc(OCc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 124168105 | 186664 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4745767 | 186664 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762533 | 186728 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 522 | 5 | 1 | 4 | 6.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4746492 | 186728 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 522 | 5 | 1 | 4 | 6.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762458 | 186938 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 470 | 6 | 2 | 5 | 5.4 | CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(C)cc2N=CN1c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4748962 | 186938 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 470 | 6 | 2 | 5 | 5.4 | CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(C)cc2N=CN1c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 124168105 | 186664 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4745767 | 186664 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2CCCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762406 | 188942 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 478 | 6 | 1 | 7 | 4.1 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C#N)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4782501 | 188942 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 478 | 6 | 1 | 7 | 4.1 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C#N)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762406 | 188942 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 478 | 6 | 1 | 7 | 4.1 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C#N)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4782501 | 188942 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 478 | 6 | 1 | 7 | 4.1 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C#N)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762327 | 186985 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4ccc(O)cc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4749667 | 186985 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4ccc(O)cc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 124167759 | 187866 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 429 | 6 | 2 | 7 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4760001 | 187866 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 429 | 6 | 2 | 7 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762468 | 189462 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 476 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4789268 | 189462 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 476 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762421 | 187990 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 6 | 2 | 8 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2COCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4761262 | 187990 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 6 | 2 | 8 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2COCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 162657212 | 187647 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 520 | 5 | 1 | 4 | 6.7 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(Cl)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4757384 | 187647 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 520 | 5 | 1 | 4 | 6.7 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(Cl)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 162657212 | 187647 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 520 | 5 | 1 | 4 | 6.7 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(Cl)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4757384 | 187647 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 520 | 5 | 1 | 4 | 6.7 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(Cl)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762468 | 189462 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 476 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4789268 | 189462 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 476 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 162651633 | 186954 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 457 | 8 | 2 | 7 | 3.8 | CCN(CCNC)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4749169 | 186954 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 457 | 8 | 2 | 7 | 3.8 | CCN(CCNC)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12 | 10.1016/j.bmcl.2020.127496 | ||
| 124167759 | 187866 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 429 | 6 | 2 | 7 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4760001 | 187866 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 429 | 6 | 2 | 7 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762344 | 190252 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 496 | 7 | 2 | 7 | 3.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C(N)=O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4799254 | 190252 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 496 | 7 | 2 | 7 | 3.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C(N)=O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 139392804 | 198382 | 1 | None | -1047 | 5 | Human | 6.4 | pEC50 | = | 6.4 | 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 | 198382 | 1 | None | -1047 | 5 | Human | 6.4 | pEC50 | = | 6.4 | 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 | ||
| 140762421 | 187990 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 6 | 2 | 8 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2COCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4761262 | 187990 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 6 | 2 | 8 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2COCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 11705763 | 175094 | 0 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL434159 | 175094 | 0 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| 140762458 | 186938 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 470 | 6 | 2 | 5 | 5.4 | CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(C)cc2N=CN1c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4748962 | 186938 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 470 | 6 | 2 | 5 | 5.4 | CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(C)cc2N=CN1c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762560 | 186908 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 542 | 5 | 3 | 5 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccc5[nH]c(=O)[nH]c5c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4748730 | 186908 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 542 | 5 | 3 | 5 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccc5[nH]c(=O)[nH]c5c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 124168075 | 188649 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4778857 | 188649 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 162651633 | 186954 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 457 | 8 | 2 | 7 | 3.8 | CCN(CCNC)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4749169 | 186954 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 457 | 8 | 2 | 7 | 3.8 | CCN(CCNC)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12 | 10.1016/j.bmcl.2020.127496 | ||
| 140762344 | 190252 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 496 | 7 | 2 | 7 | 3.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C(N)=O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4799254 | 190252 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 496 | 7 | 2 | 7 | 3.3 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C(N)=O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 122444866 | 192367 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 331 | 2 | 1 | 3 | 4.4 | Cc1cc(C)cc(-c2cnc3ccccc3c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| CHEMBL4863622 | 192367 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 331 | 2 | 1 | 3 | 4.4 | Cc1cc(C)cc(-c2cnc3ccccc3c2N2CCC(N)CC2)c1 | 10.1016/j.bmc.2021.116424 | ||
| 140762560 | 186908 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 542 | 5 | 3 | 5 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccc5[nH]c(=O)[nH]c5c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4748730 | 186908 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 542 | 5 | 3 | 5 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccc5[nH]c(=O)[nH]c5c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762459 | 187996 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 5 | 1 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4761308 | 187996 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 5 | 1 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762459 | 187996 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 5 | 1 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4761308 | 187996 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 5 | 1 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762376 | 187757 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 3.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H](C)N)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4758610 | 187757 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 3.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H](C)N)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762530 | 187594 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 486 | 5 | 1 | 4 | 6.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccccc4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4756810 | 187594 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 486 | 5 | 1 | 4 | 6.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccccc4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762502 | 187635 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 554 | 5 | 1 | 4 | 7.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(F)(F)F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4757290 | 187635 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 554 | 5 | 1 | 4 | 7.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(F)(F)F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762376 | 187757 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 3.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H](C)N)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4758610 | 187757 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 3.5 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H](C)N)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762502 | 187635 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 554 | 5 | 1 | 4 | 7.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(F)(F)F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4757290 | 187635 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 554 | 5 | 1 | 4 | 7.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(F)(F)F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762530 | 187594 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 486 | 5 | 1 | 4 | 6.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccccc4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4756810 | 187594 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 486 | 5 | 1 | 4 | 6.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccccc4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762576 | 187091 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 534 | 6 | 1 | 5 | 6.2 | COc1cc(F)cc(-c2cc3c(cc2C)N=CN(c2cc(C)cc(Cl)c2)C3C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4751066 | 187091 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 534 | 6 | 1 | 5 | 6.2 | COc1cc(F)cc(-c2cc3c(cc2C)N=CN(c2cc(C)cc(Cl)c2)C3C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762391 | 186370 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 455 | 6 | 2 | 7 | 3.6 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4742147 | 186370 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 455 | 6 | 2 | 7 | 3.6 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 44397835 | 74293 | 0 | None | 8 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL189554 | 74293 | 0 | None | 8 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| 140762576 | 187091 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 534 | 6 | 1 | 5 | 6.2 | COc1cc(F)cc(-c2cc3c(cc2C)N=CN(c2cc(C)cc(Cl)c2)C3C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4751066 | 187091 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 534 | 6 | 1 | 5 | 6.2 | COc1cc(F)cc(-c2cc3c(cc2C)N=CN(c2cc(C)cc(Cl)c2)C3C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762391 | 186370 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 455 | 6 | 2 | 7 | 3.6 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4742147 | 186370 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 455 | 6 | 2 | 7 | 3.6 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 124168075 | 188649 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4778857 | 188649 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762429 | 187237 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 483 | 7 | 1 | 7 | 4.3 | COc1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4752814 | 187237 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 483 | 7 | 1 | 7 | 4.3 | COc1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762436 | 186231 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 473 | 6 | 2 | 7 | 3.8 | Cc1cc(F)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4740611 | 186231 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 473 | 6 | 2 | 7 | 3.8 | Cc1cc(F)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762493 | 189996 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 5 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4796039 | 189996 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 5 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762510 | 186508 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(C(N)=O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4744062 | 186508 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(C(N)=O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762510 | 186508 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(C(N)=O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4744062 | 186508 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(C(N)=O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762508 | 189557 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 503 | 5 | 2 | 6 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4790334 | 189557 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 503 | 5 | 2 | 6 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762493 | 189996 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 5 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4796039 | 189996 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 5 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 140762436 | 186231 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 473 | 6 | 2 | 7 | 3.8 | Cc1cc(F)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4740611 | 186231 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 473 | 6 | 2 | 7 | 3.8 | Cc1cc(F)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762429 | 187237 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 483 | 7 | 1 | 7 | 4.3 | COc1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4752814 | 187237 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 483 | 7 | 1 | 7 | 4.3 | COc1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 140762508 | 189557 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 503 | 5 | 2 | 6 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| CHEMBL4790334 | 189557 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 503 | 5 | 2 | 6 | 5.2 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | ||
| 52936721 | 68011 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 487 | 6 | 2 | 4 | 6.4 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(=O)[nH]c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766090 | 68011 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 487 | 6 | 2 | 4 | 6.4 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(=O)[nH]c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 24952323 | 68017 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 486 | 6 | 2 | 4 | 7.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766096 | 68017 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 486 | 6 | 2 | 4 | 7.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 24956953 | 68023 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 459 | 7 | 2 | 4 | 5.7 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(C(N)=O)c4)cc3c2OCCCN)c1 | 10.1021/jm101501b | ||
| CHEMBL1766102 | 68023 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 459 | 7 | 2 | 4 | 5.7 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(C(N)=O)c4)cc3c2OCCCN)c1 | 10.1021/jm101501b | ||
| 24951597 | 68020 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 513 | 7 | 2 | 4 | 6.8 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(C(N)=O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766099 | 68020 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 513 | 7 | 2 | 4 | 6.8 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(C(N)=O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 24951598 | 68018 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 486 | 6 | 2 | 4 | 7.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766097 | 68018 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 486 | 6 | 2 | 4 | 7.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 52936724 | 68014 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 505 | 6 | 1 | 4 | 7.8 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(Cl)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766093 | 68014 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 505 | 6 | 1 | 4 | 7.8 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(Cl)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 52936831 | 68026 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 468 | 8 | 3 | 5 | 5.5 | OCc1cccc(-c2ccc3ncc(-c4cccc(CO)c4)c(OCC[C@H]4CCCCN4)c3c2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766105 | 68026 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 468 | 8 | 3 | 5 | 5.5 | OCc1cccc(-c2ccc3ncc(-c4cccc(CO)c4)c(OCC[C@H]4CCCCN4)c3c2)c1 | 10.1021/jm101501b | ||
| 44325425 | 119224 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 639 | 13 | 4 | 7 | 3.3 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL329824 | 119224 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 639 | 13 | 4 | 7 | 3.3 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | ||
| 44325451 | 113974 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 568 | 12 | 4 | 5 | 5.1 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL316559 | 113974 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 568 | 12 | 4 | 5 | 5.1 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(01)00568-6 | ||
| 24952682 | 68019 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 500 | 7 | 2 | 4 | 7.2 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766098 | 68019 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 500 | 7 | 2 | 4 | 7.2 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 24951595 | 68022 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 474 | 6 | 1 | 5 | 6.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766101 | 68022 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 474 | 6 | 1 | 5 | 6.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 44325410 | 214080 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 604 | 11 | 4 | 6 | 3.2 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL93304 | 214080 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 604 | 11 | 4 | 6 | 3.2 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | ||
| 24953027 | 68016 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 7.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccncc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766095 | 68016 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 7.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccncc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 44325452 | 173884 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1115 | 17 | 10 | 13 | 3.8 | CC(C)(C)C1N[C@H](C(=O)NC(Cc2cccc3ccccc23)C(N)=O)CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL429000 | 173884 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1115 | 17 | 10 | 13 | 3.8 | CC(C)(C)C1N[C@H](C(=O)NC(Cc2cccc3ccccc23)C(N)=O)CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O | 10.1016/s0960-894x(01)00568-6 | ||
| 44325478 | 119169 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 640 | 12 | 4 | 7 | 2.8 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL329684 | 119169 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 640 | 12 | 4 | 7 | 2.8 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | ||
| 52936722 | 68012 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 486 | 6 | 2 | 5 | 6.7 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(N)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766091 | 68012 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 486 | 6 | 2 | 5 | 6.7 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(N)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 24953029 | 68015 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 489 | 6 | 1 | 4 | 7.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(F)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766094 | 68015 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 489 | 6 | 1 | 4 | 7.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(F)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 52936833 | 68021 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 474 | 6 | 1 | 5 | 6.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766100 | 68021 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 474 | 6 | 1 | 5 | 6.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 52936725 | 68024 | 24 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 6.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 | 10.1021/jm101501b | ||
| CHEMBL1766103 | 68024 | 24 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 6.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 | 10.1021/jm101501b | ||
| 52936723 | 68013 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 501 | 7 | 1 | 5 | 7.2 | COc1ccc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)cn1 | 10.1021/jm101501b | ||
| CHEMBL1766092 | 68013 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 501 | 7 | 1 | 5 | 7.2 | COc1ccc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)cn1 | 10.1021/jm101501b | ||
| 44325477 | 214169 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 631 | 11 | 5 | 8 | 4.1 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL93859 | 214169 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 631 | 11 | 5 | 8 | 4.1 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(01)00568-6 | ||
| 44325456 | 119398 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 507 | 12 | 4 | 6 | 0.7 | COC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cccc(F)c1)NS(=O)(=O)c1ccc(C)cc1 | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL330248 | 119398 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 507 | 12 | 4 | 6 | 0.7 | COC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cccc(F)c1)NS(=O)(=O)c1ccc(C)cc1 | 10.1016/s0960-894x(01)00568-6 | ||
| 44325411 | 214251 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 618 | 11 | 4 | 6 | 3.5 | Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL94293 | 214251 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 618 | 11 | 4 | 6 | 3.5 | Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(01)00568-6 | ||
| 54586272 | 68031 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 7.5 | Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766110 | 68031 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 7.5 | Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1 | 10.1021/jm101501b | ||
| 44325409 | 213832 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 654 | 12 | 4 | 7 | 3.1 | Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(01)00568-6 | ||
| CHEMBL91696 | 213832 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 654 | 12 | 4 | 7 | 3.1 | Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(01)00568-6 | ||
| 52936625 | 68010 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 7.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccnc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| CHEMBL1766089 | 68010 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 7.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccnc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | ||
| 52936830 | 68025 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 476 | 7 | 2 | 6 | 5.4 | Cn1cc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cccc(CO)c4)cnc3cc2Cl)cn1 | 10.1021/jm101501b | ||
| CHEMBL1766104 | 68025 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 476 | 7 | 2 | 6 | 5.4 | Cn1cc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cccc(CO)c4)cnc3cc2Cl)cn1 | 10.1021/jm101501b | ||
| 2055 | 9682 | 48 | None | 8 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | None | None | ||||
| 383414 | 9682 | 48 | None | 8 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | None | None | ||||
| 90488715 | 9682 | 48 | None | 8 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL1680 | 9682 | 48 | None | 8 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL262746 | 9682 | 48 | None | 8 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | None | None | ||||
| DB00104 | 9682 | 48 | None | 8 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | None | None | ||||
| 145705877 | 224515 | 0 | None | -1 | 5 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)C(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1 | None | ||
| 2050 | 9035 | 0 | None | - | 1 | Rat | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 585 | 8 | 5 | 5 | 4.2 | NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 15855408 | ||
| 5311372 | 9035 | 0 | None | - | 1 | Rat | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 585 | 8 | 5 | 5 | 4.2 | NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 15855408 | ||
| 2013 | 8961 | 0 | None | -91 | 6 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| 2018 | 9781 | 28 | None | -616 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| 9941444 | 9781 | 28 | None | -616 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| CHEMBL3349607 | 9781 | 28 | None | -616 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| DB06663 | 9781 | 28 | None | -616 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| 2018 | 9781 | 28 | None | -616 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| 2018 | 9781 | 28 | None | -616 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| 9941444 | 9781 | 28 | None | -616 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| 9941444 | 9781 | 28 | None | -616 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| CHEMBL3349607 | 9781 | 28 | None | -616 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| CHEMBL3349607 | 9781 | 28 | None | -616 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| DB06663 | 9781 | 28 | None | -616 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| DB06663 | 9781 | 28 | None | -616 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| 2019 | 10447 | 0 | None | -10 | 4 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 15855408 | ||||
| 44386062 | 10447 | 0 | None | -10 | 4 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 15855408 | ||||
| CHEMBL440072 | 10447 | 0 | None | -10 | 4 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 15855408 | ||||
| 2013 | 8961 | 0 | None | -91 | 6 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| 2013 | 8961 | 0 | None | -91 | 6 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 21493671 | ||||
| 2050 | 9035 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 585 | 8 | 5 | 5 | 4.2 | NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 15855408 | ||
| 5311372 | 9035 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 585 | 8 | 5 | 5 | 4.2 | NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 15855408 | ||
| 2013 | 8961 | 0 | None | -91 | 6 | Rat | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| 2018 | 9781 | 28 | None | -616 | 5 | Rat | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| 9941444 | 9781 | 28 | None | -616 | 5 | Rat | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| CHEMBL3349607 | 9781 | 28 | None | -616 | 5 | Rat | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| DB06663 | 9781 | 28 | None | -616 | 5 | Rat | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 19910453 | ||||
| 145705877 | 224515 | 0 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)C(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1 | None | ||
| 2017 | 9520 | 0 | None | 7079 | 2 | Mouse | 10.9 | pIC50 | = | 10.9 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2017 | 9520 | 0 | None | 7079 | 2 | Mouse | 10.9 | pIC50 | = | 10.9 | Functional | Guide to Pharmacology | None | None | None | None | 8769370 | ||||
| 2033 | 7425 | 0 | None | -1 | 3 | Human | 10.9 | pIC50 | = | 10.9 | Functional | Guide to Pharmacology | None | None | None | None | 8646408 | ||||
| 2038 | 7433 | 0 | None | - | 1 | Mouse | 10.9 | pIC50 | = | 10.9 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2033 | 7425 | 0 | None | 1 | 3 | Mouse | 11.1 | pIC50 | = | 11.1 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2033 | 7425 | 0 | None | 1 | 3 | Mouse | 11.1 | pIC50 | = | 11.1 | Functional | Guide to Pharmacology | None | None | None | None | 8769370 | ||||
| 2037 | 7432 | 0 | None | 794 | 2 | Mouse | 11.1 | pIC50 | = | 11.1 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2035 | 7427 | 0 | None | 31622 | 2 | Mouse | 11.7 | pIC50 | = | 11.7 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2049 | 8998 | 0 | None | - | 1 | Mouse | 12.0 | pIC50 | = | 12 | Functional | Guide to Pharmacology | None | None | None | None | 8769370 | ||||
| 5641 | 10885 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 18381940 | ||||
| 2034 | 7426 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2027 | 7442 | 0 | None | 6 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11897676 | ||||
| 2044 | 8310 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 5633 | 10376 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 21082773 | ||||
| 5640 | 8493 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 18381940 | ||||
| 2053 | 9623 | 0 | None | 3 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 15709181 | ||||
| 5634 | 10375 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 21082773 | ||||
| 5636 | 8146 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 16568203 | ||||
| 5627 | 9626 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 12009943 | ||||
| 2039 | 7434 | 0 | None | -3 | 2 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2047 | 8996 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2047 | 8996 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 8769370 | ||||
| 5638 | 8313 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 10774879 | ||||
| 5635 | 7169 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 20956465 | ||||
| 5639 | 8491 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 17225119 | ||||
| 5647 | 7196 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 18543899 | ||||
| 5642 | 8822 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 12009943 | ||||
| 5645 | 8249 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 18543899 | ||||
| 5643 | 8546 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 21680701 | ||||
| 7763 | 7198 | 0 | None | 380 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 18543899 | ||||
| 2043 | 8120 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2013 | 8961 | 0 | None | -1 | 6 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12450568 | ||||
| 2018 | 9781 | 28 | None | -6 | 5 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| 9941444 | 9781 | 28 | None | -6 | 5 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| CHEMBL3349607 | 9781 | 28 | None | -6 | 5 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| DB06663 | 9781 | 28 | None | -6 | 5 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| 2042 | 7487 | 0 | None | 5 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 15709181 | ||||
| 5646 | 7199 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 18543899 | ||||
| 5648 | 7197 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 18543899 | ||||
| 16133849 | 10448 | 12 | None | -8 | 4 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 2020 | 10448 | 12 | None | -8 | 4 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 91935900 | 10448 | 12 | None | -8 | 4 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| CHEMBL501796 | 10448 | 12 | None | -8 | 4 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 2048 | 8997 | 0 | None | - | 1 | Mouse | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 8769370 | ||||
| 70692642 | 8997 | 0 | None | - | 1 | Mouse | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 8769370 | ||||
| CHEMBL2052017 | 8997 | 0 | None | - | 1 | Mouse | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 8769370 | ||||
| 2052 | 9521 | 0 | None | - | 1 | Mouse | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 8769370 | ||||
| 2033 | 7425 | 0 | None | -25 | 3 | Rat | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 9121614 | ||||
| 2041 | 7437 | 0 | None | 50 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 9045884 | ||||
| 5632 | 8492 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 10774879 | ||||
| 5632 | 8492 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 17225119 | ||||
| 2040 | 7435 | 0 | None | 5 | 2 | Mouse | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2026 | 7441 | 0 | None | 1 | 5 | Human | 7.5 | pIC50 | None | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 11897676 | ||||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| CHEMBL5286005 | 201106 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 5.2 | COc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| 140762567 | 187056 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 187056 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | 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 | |||
| CHEMBL5286005 | 201106 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 5.2 | COc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5279239 | 200799 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 458 | 4 | 2 | 4 | 4.9 | NC(=O)c1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| 140762568 | 188043 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL4761949 | 188043 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL5279239 | 200799 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 458 | 4 | 2 | 4 | 4.9 | NC(=O)c1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5279994 | 200825 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 449 | 3 | 2 | 4 | 5.6 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(F)c4O)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5283444 | 200988 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 431 | 3 | 2 | 4 | 5.5 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(O)c4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5286879 | 201139 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 452 | 3 | 2 | 5 | 5.5 | Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5283444 | 200988 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 431 | 3 | 2 | 4 | 5.5 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(O)c4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5279994 | 200825 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 449 | 3 | 2 | 4 | 5.6 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(F)c4O)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5286879 | 201139 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 452 | 3 | 2 | 5 | 5.5 | Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| 140762573 | 189156 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | 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 | 189156 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | 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 | |||
| 134168328 | 200318 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5267842 | 200318 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| 134168328 | 200318 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5267842 | 200318 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5273084 | 200526 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 438 | 3 | 2 | 5 | 5.2 | N#Cc1cccc(-c2ccc3ncc(-c4cccc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5273084 | 200526 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 438 | 3 | 2 | 5 | 5.2 | N#Cc1cccc(-c2ccc3ncc(-c4cccc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5276605 | 200685 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 474 | 3 | 2 | 5 | 5.5 | N#Cc1cc(F)cc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5276605 | 200685 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 474 | 3 | 2 | 5 | 5.5 | N#Cc1cc(F)cc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| 162666722 | 189025 | 0 | None | - | 0 | Rat | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)CC2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL4783565 | 189025 | 0 | None | - | 0 | Rat | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)CC2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| 162648021 | 186752 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | 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 | 186752 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | 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 | |||
| 155544425 | 180161 | 0 | None | 436 | 5 | Human | 9.0 | pEC50 | = | 9 | 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 | 180161 | 0 | None | 436 | 5 | Human | 9.0 | pEC50 | = | 9 | 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 | |||
| 118753685 | 127397 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 1160 | 17 | 14 | 15 | -0.5 | 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 | |||
| CHEMBL3144288 | 127397 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 1160 | 17 | 14 | 15 | -0.5 | 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 | |||
| CHEMBL3546259 | 127397 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 1160 | 17 | 14 | 15 | -0.5 | 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 | |||
| 90663872 | 113515 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144282 | 113515 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144284 | 113515 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| 90663868 | 113513 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144280 | 113513 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144290 | 113513 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| 134168328 | 200318 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5267842 | 200318 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| 140762500 | 188512 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | 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 | 188512 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | 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 | |||
| CHEMBL5268837 | 200360 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 5.6 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5268837 | 200360 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 5.6 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| 118753686 | 127398 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1322 | 20 | 18 | 20 | -3.1 | C[C@@H](O)[C@H](CO)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]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 | 10.1021/jm040794i | |||
| CHEMBL3144289 | 127398 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1322 | 20 | 18 | 20 | -3.1 | C[C@@H](O)[C@H](CO)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]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 | 10.1021/jm040794i | |||
| CHEMBL3546260 | 127398 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1322 | 20 | 18 | 20 | -3.1 | C[C@@H](O)[C@H](CO)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]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 | 10.1021/jm040794i | |||
| CHEMBL2372605 | 218511 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | 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](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 | |||||
| CHEMBL3546216 | 218511 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | 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](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 | |||||
| 90663874 | 113517 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 113517 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 113517 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | 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 | |||
| CHEMBL5289166 | 201240 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 420 | 3 | 2 | 5 | 5.1 | N#Cc1cccc(-c2ccc3ncc(-c4ccccc4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5289166 | 201240 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 420 | 3 | 2 | 5 | 5.1 | N#Cc1cccc(-c2ccc3ncc(-c4ccccc4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5285564 | 201080 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 463 | 3 | 2 | 6 | 5.1 | N#Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5286126 | 201113 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 5.8 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| 155563809 | 182179 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1987 | 33 | 15 | 32 | 5.1 | CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)OCCSSC[C@H](NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](N)Cc5ccccc5)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4)C(N)=O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| CHEMBL4575530 | 182179 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1987 | 33 | 15 | 32 | 5.1 | CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)OCCSSC[C@H](NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](N)Cc5ccccc5)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4)C(N)=O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| CHEMBL5270465 | 200413 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 371 | 2 | 1 | 3 | 5.1 | NC1CCN(c2c(-c3cc(Cl)cc(Cl)c3)cnc3ccccc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5270465 | 200413 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 371 | 2 | 1 | 3 | 5.1 | NC1CCN(c2c(-c3cc(Cl)cc(Cl)c3)cnc3ccccc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5266662 | 200266 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 339 | 2 | 1 | 3 | 4.1 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccccc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| 90663873 | 113516 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 113516 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 113516 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | 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 | |||
| 16133849 | 10448 | 12 | None | -3 | 9 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | |||||
| 2020 | 10448 | 12 | None | -3 | 9 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | |||||
| 91935900 | 10448 | 12 | None | -3 | 9 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | |||||
| CHEMBL501796 | 10448 | 12 | None | -3 | 9 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | |||||
| CHEMBL5275725 | 200647 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 438 | 3 | 2 | 5 | 5.2 | N#Cc1cccc(-c2ccc3ncc(-c4ccccc4F)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL2372606 | 217055 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | 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 | 217055 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | 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 | |||||
| CHEMBL5275725 | 200647 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 438 | 3 | 2 | 5 | 5.2 | N#Cc1cccc(-c2ccc3ncc(-c4ccccc4F)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| 118753688 | 127400 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1410 | 23 | 18 | 21 | -2.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144293 | 127400 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1410 | 23 | 18 | 21 | -2.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3546262 | 127400 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1410 | 23 | 18 | 21 | -2.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| 118753687 | 127399 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1410 | 23 | 18 | 21 | -2.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144292 | 127399 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1410 | 23 | 18 | 21 | -2.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3546261 | 127399 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1410 | 23 | 18 | 21 | -2.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL5270619 | 200419 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 5.6 | N#Cc1ccccc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(N)CC3)c2c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5270619 | 200419 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 5.6 | N#Cc1ccccc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(N)CC3)c2c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5279790 | 200817 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 431 | 3 | 2 | 4 | 5.5 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4O)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5286792 | 201135 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 433 | 3 | 1 | 3 | 5.9 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(F)c4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5279790 | 200817 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 431 | 3 | 2 | 4 | 5.5 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4O)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5286792 | 201135 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 433 | 3 | 1 | 3 | 5.9 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(F)c4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5273093 | 200527 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 5.6 | N#Cc1ccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)cc1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5273476 | 200545 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 438 | 3 | 2 | 5 | 5.2 | N#Cc1cccc(-c2ccc3ncc(-c4ccc(F)cc4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5267035 | 200284 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 431 | 3 | 2 | 4 | 5.5 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccc(O)cc4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5267035 | 200284 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 431 | 3 | 2 | 4 | 5.5 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccc(O)cc4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5273093 | 200527 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 5.6 | N#Cc1ccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)cc1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5273476 | 200545 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 438 | 3 | 2 | 5 | 5.2 | N#Cc1cccc(-c2ccc3ncc(-c4ccc(F)cc4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| 124167759 | 187866 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 429 | 6 | 2 | 7 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL4760001 | 187866 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 429 | 6 | 2 | 7 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| 140762468 | 189462 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 476 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL4789268 | 189462 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 476 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| 124167759 | 187866 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 429 | 6 | 2 | 7 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL4760001 | 187866 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 429 | 6 | 2 | 7 | 3.2 | Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| 140762468 | 189462 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 476 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL4789268 | 189462 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 476 | 5 | 2 | 5 | 5.4 | Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5272881 | 200517 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 459 | 4 | 2 | 4 | 5.5 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(C(=O)O)c4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5278345 | 200755 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 445 | 4 | 1 | 4 | 5.8 | COc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5272881 | 200517 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 459 | 4 | 2 | 4 | 5.5 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(C(=O)O)c4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5278345 | 200755 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 445 | 4 | 1 | 4 | 5.8 | COc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5288602 | 201213 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 451 | 4 | 2 | 7 | 4.5 | COc1cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)ccn1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5288602 | 201213 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 451 | 4 | 2 | 7 | 4.5 | COc1cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)ccn1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5290669 | 201286 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 373 | 2 | 1 | 3 | 4.8 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(Cl)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| 134168328 | 200318 | 0 | None | - | 0 | Dog | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5267842 | 200318 | 0 | None | - | 0 | Dog | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5279978 | 200824 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 411 | 5 | 3 | 4 | 4.6 | Cc1cc(C)cc(-c2cncc(-c3ccc4c(O)cccc4c3)c2C(=O)NCCN)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| 124168080 | 188613 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 188613 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | 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 | |||
| CHEMBL5279978 | 200824 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 411 | 5 | 3 | 4 | 4.6 | Cc1cc(C)cc(-c2cncc(-c3ccc4c(O)cccc4c3)c2C(=O)NCCN)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5290669 | 201286 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 373 | 2 | 1 | 3 | 4.8 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(Cl)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5286495 | 201127 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4ccc(F)c(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5286495 | 201127 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 456 | 3 | 2 | 5 | 5.4 | N#Cc1cccc(-c2ccc3ncc(-c4ccc(F)c(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5271468 | 200464 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 4.1 | Cc1cc(C)cc(-c2cncc(C(=O)Nc3cccc(O)c3)c2NCCCN)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5271468 | 200464 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 4.1 | Cc1cc(C)cc(-c2cncc(C(=O)Nc3cccc(O)c3)c2NCCCN)c1 | 10.1021/acsmedchemlett.2c00431 | |||
| CHEMBL5286126 | 201113 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 5.8 | NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4)cc23)CC1 | 10.1021/acsmedchemlett.2c00431 | |||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 10.7 | pIC50 | = | 10.7 | 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/jm050376t | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 10.7 | pIC50 | = | 10.7 | 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/jm050376t | |||
| 11563877 | 171499 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | 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 | 171499 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | 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 | |||
| 10054314 | 170540 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 600 | 10 | 3 | 5 | 5.4 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4205606 | 170540 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 600 | 10 | 3 | 5 | 5.4 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 9959983 | 170659 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 581 | 10 | 3 | 4 | 6.3 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(c2ccccc2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4206924 | 170659 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 581 | 10 | 3 | 4 | 6.3 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(c2ccccc2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 58723865 | 171075 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 628 | 10 | 3 | 5 | 5.2 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2C)C(=O)C1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4212088 | 171075 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 628 | 10 | 3 | 5 | 5.2 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2C)C(=O)C1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 58723795 | 171290 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 614 | 10 | 3 | 5 | 4.9 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2)C(=O)C1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4214725 | 171290 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 614 | 10 | 3 | 5 | 4.9 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2)C(=O)C1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL262135 | 217306 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| 145965915 | 170915 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 626 | 9 | 3 | 5 | 5.0 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2C)C(=O)C1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4210064 | 170915 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 626 | 9 | 3 | 5 | 5.0 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2C)C(=O)C1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 44325477 | 214169 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 631 | 11 | 5 | 8 | 4.1 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL93859 | 214169 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 631 | 11 | 5 | 8 | 4.1 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL415860 | 219985 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | 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](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(=O)O | 10.1021/jm960851a | |||||
| 13690207 | 122160 | 0 | None | - | 5 | Mouse | 9.6 | pIC50 | = | 9.6 | 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 | 122160 | 0 | None | - | 5 | Mouse | 9.6 | pIC50 | = | 9.6 | 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 | |||
| 16129706 | 215810 | 40 | None | - | 5 | Mouse | 9.6 | pIC50 | = | 9.6 | 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/jm960850i | |||||
| CHEMBL1823872 | 215810 | 40 | None | - | 5 | Mouse | 9.6 | pIC50 | = | 9.6 | 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/jm960850i | |||||
| 145975165 | 170571 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 612 | 9 | 3 | 5 | 4.7 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2)C(=O)C1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4205969 | 170571 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 612 | 9 | 3 | 5 | 4.7 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(c2ccc(F)cc2)C(=O)C1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL2369533 | 216411 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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+ | |||||
| CHEMBL1643385 | 215603 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSS[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.bmc.2010.12.014 | |||||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 9.4 | pIC50 | = | 9.4 | 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/jm050376t | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 9.4 | pIC50 | = | 9.4 | 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/jm050376t | |||||
| 56671558 | 70029 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0496335 | |||||
| CHEMBL1791314 | 70029 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0496335 | |||||
| CHEMBL2372604 | 217054 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 217054 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | |||||
| 11614416 | 170548 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 654 | 9 | 3 | 5 | 5.4 | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)C(=O)C1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4205696 | 170548 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 654 | 9 | 3 | 5 | 5.4 | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)C(=O)C1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F | 10.1016/j.bmc.2017.09.031 | |||
| 145964683 | 170797 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 615 | 11 | 3 | 6 | 6.1 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2cccs2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4208528 | 170797 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 615 | 11 | 3 | 6 | 6.1 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2cccs2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 145966680 | 171033 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 587 | 11 | 3 | 5 | 5.5 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4211422 | 171033 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 587 | 11 | 3 | 5 | 5.5 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL264133 | 217386 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | 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)c(I)c2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)c(I)c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm050376t | |||||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 9.2 | pIC50 | = | 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/jm200307v | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 9.2 | pIC50 | = | 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/jm200307v | |||||
| 145966884 | 170959 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 613 | 10 | 3 | 6 | 5.9 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2cccs2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4210627 | 170959 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 613 | 10 | 3 | 6 | 5.9 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2cccs2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 145974146 | 171318 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 585 | 10 | 3 | 5 | 5.3 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4215053 | 171318 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 585 | 10 | 3 | 5 | 5.3 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 9.2 | pIC50 | = | 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/j.ejmech.2013.12.003 | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 9.2 | pIC50 | = | 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/j.ejmech.2013.12.003 | |||||
| 44560907 | 200100 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1688 | 30 | 20 | 25 | -3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)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](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL524341 | 200100 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1688 | 30 | 20 | 25 | -3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)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](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 9.2 | pIC50 | = | 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/jm049519m | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 9.2 | pIC50 | = | 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/jm049519m | |||||
| 25189052 | 19444 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | 19444 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | 19444 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | |||
| CHEMBL526523 | 222468 | 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](Cc2ccc(NC(N)=O)cc2)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 | |||||
| CHEMBL3122129 | 217886 | 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 | |||||
| 90663873 | 113516 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | 113516 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | 113516 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | |||
| 145973735 | 171423 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 589 | 12 | 3 | 5 | 5.8 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)CC(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4216387 | 171423 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 589 | 12 | 3 | 5 | 5.8 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)CC(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 90663874 | 113517 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | 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 | 113517 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | 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 | 113517 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | 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 | |||
| 145975556 | 170403 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 588 | 8 | 3 | 5 | 4.4 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4203793 | 170403 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 588 | 8 | 3 | 5 | 4.4 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(98)00187-5 | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(98)00187-5 | |||
| CHEMBL3122128 | 217885 | 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](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 | |||||
| CHEMBL1823873 | 215811 | 9 | None | - | 4 | Human | 9.0 | pIC50 | = | 9.0 | 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 | |||||
| 145978640 | 170758 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 575 | 11 | 3 | 5 | 5.4 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4208009 | 170758 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 575 | 11 | 3 | 5 | 5.4 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 90663872 | 113515 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144282 | 113515 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144284 | 113515 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL441185 | 220661 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)cc2)CSSC[C@H](C(=O)N[C@H](CC(=O)O)C(N)=O)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL499939 | 220883 | 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)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 | |||||
| 90663868 | 113513 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144280 | 113513 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| CHEMBL3144290 | 113513 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)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 | 10.1021/jm040794i | |||
| 44290718 | 162667 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1115 | 15 | 11 | 12 | 2.4 | 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)CCSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||
| CHEMBL406051 | 162667 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1115 | 15 | 11 | 12 | 2.4 | 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)CCSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||
| CHEMBL498945 | 220865 | 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](Cc2ccc(NC(N)=O)cc2)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](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 46237803 | 15882 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1842 | 40 | 19 | 30 | -2.9 | 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](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm100246m | |||
| CHEMBL1099304 | 15882 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1842 | 40 | 19 | 30 | -2.9 | 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](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm100246m | |||
| CHEMBL526524 | 222469 | 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](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(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 | |||||
| CHEMBL407676 | 219456 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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(N)c(I)c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL3122130 | 217887 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | |||||
| CHEMBL508585 | 221773 | 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](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 | |||||
| CHEMBL441920 | 220679 | 13 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | |||||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/ml200032v | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/ml200032v | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/ml200032v | |||||
| CHEMBL1824052 | 215815 | 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](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 | |||||
| CHEMBL3122127 | 217884 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | |||||
| 91936729 | 174357 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| CHEMBL430066 | 174357 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| CHEMBL2372604 | 217054 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | 217054 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | |||||
| CHEMBL386909 | 219179 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)cc2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm050376t | |||||
| 44560906 | 195013 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1722 | 30 | 19 | 24 | -2.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)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 | |||
| CHEMBL499446 | 195013 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1722 | 30 | 19 | 24 | -2.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)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 | |||
| 145978229 | 170364 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 586 | 9 | 3 | 5 | 4.2 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4203387 | 170364 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 586 | 9 | 3 | 5 | 4.2 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL219375 | 216192 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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)N1)C(N)=O | 10.1021/jm701445q | |||||
| CHEMBL219375 | 216192 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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)N1)C(N)=O | 10.1021/jm801314f | |||||
| CHEMBL386784 | 219171 | 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]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| CHEMBL410110 | 219579 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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)c(I)c2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)c(I)c2)CSSC[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)NC1=O | 10.1021/jm050376t | |||||
| 25187398 | 19220 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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 | 19220 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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 | 19220 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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 | |||
| CHEMBL446077 | 220722 | 0 | None | 9 | 3 | Human | 8.0 | pIC50 | = | 8 | 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 | |||||
| 45273131 | 201565 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | 201565 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | |||
| CHEMBL3349611 | 218217 | 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 | |||||
| CHEMBL3349617 | 218222 | 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 | |||||
| CHEMBL3349680 | 218242 | 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 | |||||
| 49865347 | 22685 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 1197 | 20 | 12 | 13 | 3.4 | 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](Cc2cccc3ccccc23)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 | |||
| CHEMBL1223232 | 22685 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 1197 | 20 | 12 | 13 | 3.4 | 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](Cc2cccc3ccccc23)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 | |||
| CHEMBL263306 | 217345 | 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(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 | |||||
| 25187400 | 19466 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 19466 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 19466 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | |||
| 16738359 | 143961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 143961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 143961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 143961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 143961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 143961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | |||
| CHEMBL1824054 | 215817 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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](Cc2cn(Cc3ccccc3)cn2)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 | |||||
| CHEMBL505496 | 220972 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | |||||
| CHEMBL3122123 | 217881 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | |||||
| CHEMBL501776 | 220923 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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](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 | |||||
| CHEMBL504462 | 220958 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | |||||
| CHEMBL386768 | 219168 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| CHEMBL414316 | 219901 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)cc2)CSSC[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL2111200 | 215994 | 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 | |||||
| CHEMBL3349614 | 218220 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||||
| CHEMBL3350887 | 218289 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||||
| CHEMBL415582 | 219969 | 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(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 | 216791 | 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(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 | 122218 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 122218 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | |||
| 25187681 | 19241 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 19241 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 19241 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | |||
| CHEMBL436678 | 220464 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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(N)c(I)c2)CSSC[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL2372667 | 217059 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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](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 | |||||
| 11457521 | 122237 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 122237 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||
| CHEMBL3349676 | 218238 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||||
| CHEMBL502511 | 220934 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | |||||
| CHEMBL506892 | 220995 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | |||||
| 44311889 | 103759 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1000 | 17 | 13 | 13 | -1.4 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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(=O)O | 10.1021/jm960851a | |||
| CHEMBL266469 | 103759 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1000 | 17 | 13 | 13 | -1.4 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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(=O)O | 10.1021/jm960851a | |||
| 44311889 | 103759 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1000 | 17 | 13 | 13 | -1.4 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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(=O)O | 10.1021/jm960850i | |||
| CHEMBL266469 | 103759 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1000 | 17 | 13 | 13 | -1.4 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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(=O)O | 10.1021/jm960850i | |||
| CHEMBL421493 | 220057 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | 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](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@H](C(=O)O)NC1=O | 10.1021/jm960851a | |||||
| CHEMBL421493 | 220057 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | 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](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@H](C(=O)O)NC1=O | 10.1021/jm960850i | |||||
| CHEMBL406816 | 219402 | 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](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 | 215818 | 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](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 | 215818 | 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](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 | |||||
| CHEMBL2371059 | 216785 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||||
| CHEMBL1824055 | 215818 | 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](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 | |||||
| CHEMBL2079559 | 215974 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||||
| CHEMBL2079558 | 215973 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||||
| 46887015 | 15884 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 5850 | 131 | 63 | 91 | -1.8 | 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](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)nn4)cc(C(=O)NCCOc4cc(OCCNC(=O)c5cc(OCc6cn(CCCCCC(=O)N[C@H](Cc7ccccc7)C(=O)N[C@H]7CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc8ccc(O)cc8)NC7=O)nn6)cc(OCc6cn(CCCCCC(=O)N[C@H](Cc7ccccc7)C(=O)N[C@H]7CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc8ccc(O)cc8)NC7=O)nn6)c5)cc(C(=O)NS(=O)(=O)CCNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)c4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm100246m | |||
| CHEMBL1099306 | 15884 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 5850 | 131 | 63 | 91 | -1.8 | 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](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)nn4)cc(C(=O)NCCOc4cc(OCCNC(=O)c5cc(OCc6cn(CCCCCC(=O)N[C@H](Cc7ccccc7)C(=O)N[C@H]7CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc8ccc(O)cc8)NC7=O)nn6)cc(OCc6cn(CCCCCC(=O)N[C@H](Cc7ccccc7)C(=O)N[C@H]7CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc8ccc(O)cc8)NC7=O)nn6)c5)cc(C(=O)NS(=O)(=O)CCNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)c4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm100246m | |||
| 158782 | 164613 | 20 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1421 | 26 | 17 | 22 | -3.5 | 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](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 | 10.1021/jm040794i | |||
| CHEMBL408350 | 164613 | 20 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1421 | 26 | 17 | 22 | -3.5 | 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](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 | 10.1021/jm040794i | |||
| CHEMBL500326 | 220890 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL3349508 | 218192 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | |||||
| CHEMBL1824051 | 215814 | 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](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 | |||||
| CHEMBL511086 | 222371 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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(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 | |||||
| CHEMBL216992 | 216127 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| CHEMBL3350911 | 218308 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||||
| 44311848 | 175482 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 999 | 17 | 13 | 13 | -2.0 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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/jm960851a | |||
| CHEMBL436783 | 175482 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 999 | 17 | 13 | 13 | -2.0 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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/jm960851a | |||
| 44560867 | 195919 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 195919 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | |||
| 10577746 | 214031 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 214031 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
| CHEMBL415585 | 219972 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||||
| CHEMBL262379 | 217317 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||||
| 44311848 | 175482 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 999 | 17 | 13 | 13 | -2.0 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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/jm960850i | |||
| CHEMBL436783 | 175482 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 999 | 17 | 13 | 13 | -2.0 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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/jm960850i | |||
| 44560866 | 195656 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||
| CHEMBL507148 | 195656 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||
| CHEMBL263209 | 217342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)cc2)CSSC[C@H](C(=O)N[C@@H](C(N)=O)[C@H](C)O)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL3349666 | 218229 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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](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 | |||||
| CHEMBL3350905 | 218303 | 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(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 | |||||
| CHEMBL2371051 | 216783 | 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](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 | 215819 | 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](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 | |||||
| CHEMBL3350895 | 218296 | 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](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 | |||||
| CHEMBL502777 | 220936 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL503036 | 220939 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | |||||
| CHEMBL269532 | 217574 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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](CC(=O)O)C(N)=O)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL3349663 | 218226 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||||
| CHEMBL3349613 | 218219 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||||
| CHEMBL3350896 | 218297 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 218297 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||||
| 25189325 | 19218 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 19218 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 19218 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||
| CHEMBL2111200 | 215994 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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/jm030246p | |||||
| CHEMBL3349612 | 218218 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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 | |||||
| 145977784 | 170387 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 616 | 11 | 3 | 7 | 5.5 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2nccs2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4203652 | 170387 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 616 | 11 | 3 | 7 | 5.5 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2nccs2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 145974145 | 171317 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 573 | 10 | 3 | 5 | 5.2 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4215052 | 171317 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 573 | 10 | 3 | 5 | 5.2 | CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 90663869 | 113514 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 113514 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | |||
| 90663875 | 113518 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 113518 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | |||
| CHEMBL2372606 | 217055 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 217055 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | |||||
| 25187955 | 19208 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 19208 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 19208 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | |||
| 25187685 | 19242 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 19242 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 19242 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | |||
| 145977748 | 170316 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 588 | 10 | 3 | 5 | 4.4 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4202861 | 170316 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 588 | 10 | 3 | 5 | 4.4 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL1907758 | 215847 | 0 | None | - | 0 | 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](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 | |||||
| 90663867 | 113512 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 113512 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | |||
| CHEMBL219375 | 216192 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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)N1)C(N)=O | 10.1021/jm060363v | |||||
| 56671558 56681658 | 70028 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0496335 | |||||
| CHEMBL1791313 | 70028 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0496335 | |||||
| CHEMBL1907758 | 215847 | 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 | |||||
| 145976310 | 170427 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 599 | 11 | 3 | 6 | 5.6 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2ccco2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4204193 | 170427 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 599 | 11 | 3 | 6 | 5.6 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2ccco2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| 145975716 | 170731 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 590 | 9 | 3 | 5 | 4.6 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4207735 | 170731 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 590 | 9 | 3 | 5 | 4.6 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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 | |||||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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/ml200032v | |||||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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 | |||||
| 44560905 | 195605 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1335 | 21 | 16 | 17 | -0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)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 | |||
| CHEMBL506326 | 195605 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1335 | 21 | 16 | 17 | -0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)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 | |||
| 46237804 | 15883 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 3069 | 67 | 33 | 49 | -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)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)nn4)cc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm100246m | |||
| CHEMBL1099305 | 15883 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 3069 | 67 | 33 | 49 | -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)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)nn4)cc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm100246m | |||
| 46887016 | 15885 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1230 | 25 | 15 | 19 | -0.6 | 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](Cc2ccccc2)NC(=O)CCCCCn2cc(CO)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm100246m | |||
| CHEMBL1099307 | 15885 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1230 | 25 | 15 | 19 | -0.6 | 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](Cc2ccccc2)NC(=O)CCCCCn2cc(CO)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm100246m | |||
| CHEMBL2372712 | 217062 | 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](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@@H](N)Cc2ccccc2)CCSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||||
| 91936728 | 168506 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| CHEMBL413647 | 168506 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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/jm701444y | |||||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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/jm801314f | |||||
| CHEMBL526498 | 222466 | 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](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc([N+](=O)[O-])cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 145965091 | 171151 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 610 | 11 | 3 | 6 | 5.4 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2ccccn2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4212910 | 171151 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 610 | 11 | 3 | 6 | 5.4 | CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2ccccn2)CC1)[C@@H](C)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL1907758 | 215847 | 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/jm0302445 | |||||
| 44560863 | 195085 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1346 | 22 | 16 | 19 | -0.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc([N+](=O)[O-])cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL500477 | 195085 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1346 | 22 | 16 | 19 | -0.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc([N+](=O)[O-])cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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 | |||||
| 145977604 | 170504 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 630 | 8 | 3 | 5 | 5.1 | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4205170 | 170504 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 630 | 8 | 3 | 5 | 5.1 | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F | 10.1016/j.bmc.2017.09.031 | |||
| 44325478 | 119169 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 640 | 12 | 4 | 7 | 2.8 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL329684 | 119169 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 640 | 12 | 4 | 7 | 2.8 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL3349507 | 218191 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 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](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 | |||||
| CHEMBL415359 | 219964 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||||
| CHEMBL265846 | 217446 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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+ | |||||
| 25189327 | 19468 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 19468 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 19468 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||
| CHEMBL414446 | 219910 | 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 | |||||
| 25187679 | 19443 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 19443 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 19443 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | |||
| 11828523 | 201784 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 201784 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
| 11343811 | 122239 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 122239 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
| CHEMBL501282 | 220915 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||||
| CHEMBL509192 | 222113 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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(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 | |||||
| CHEMBL3349664 | 218227 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL2371085 | 216790 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||||
| 45273130 | 202348 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1263 | 19 | 14 | 15 | 2.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](c3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(C(N)=O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H]([C@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL554976 | 202348 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1263 | 19 | 14 | 15 | 2.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](c3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(C(N)=O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H]([C@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||
| 25187683 | 19223 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 19223 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 19223 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
| CHEMBL3350881 | 218283 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL3349610 | 218216 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | |||||
| CHEMBL3350880 | 218282 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||||
| CHEMBL406373 | 219385 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||||
| CHEMBL3350894 | 218295 | 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](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 | |||||
| CHEMBL455760 | 220787 | 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](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 | |||||
| CHEMBL3350897 | 218298 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||||
| 44560876 | 195555 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1324 | 21 | 17 | 17 | -0.8 | 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(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL505628 | 195555 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1324 | 21 | 17 | 17 | -0.8 | 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(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| 44325273 | 214087 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 214087 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
| CHEMBL436962 | 220479 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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](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 | |||||
| 44290766 | 164735 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1101 | 15 | 11 | 12 | 2.0 | 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)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||
| CHEMBL408471 | 164735 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1101 | 15 | 11 | 12 | 2.0 | 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)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||
| CHEMBL3350889 | 218291 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||||
| 25188496 | 19307 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 19307 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 19307 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
| CHEMBL3349608 | 218215 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 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)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 | |||||
| 25187396 | 19456 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 19456 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 19456 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
| 162646037 | 186293 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 186293 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | |||
| 44290734 | 162614 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 162614 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | |||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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/jm070886i | |||||
| CHEMBL442494 | 220692 | 0 | None | 1 | 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/jm1005868 | |||||
| CHEMBL2011465 | 215892 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/ml200032v | |||||
| CHEMBL2372603 | 217053 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | |||||
| CHEMBL436892 | 220471 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CONC(=O)Nc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(N)=O)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)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/jm060363v | |||||
| 44325425 | 119224 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 639 | 13 | 4 | 7 | 3.3 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL329824 | 119224 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 639 | 13 | 4 | 7 | 3.3 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL1907758 | 215847 | 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/jm030243c | |||||
| CHEMBL447064 | 220726 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||||
| CHEMBL376703 | 219033 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)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/jm060363v | |||||
| CHEMBL447658 | 220731 | 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](Cc2ccc(NC(N)=O)cc2)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 | |||||
| CHEMBL524870 | 222404 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||||
| CHEMBL2111257 | 215995 | 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]([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 | |||||
| CHEMBL3350357 | 218254 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||||
| CHEMBL2079563 | 215975 | 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](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | |||||
| 25187953 | 19461 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 19461 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 19461 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
| CHEMBL505128 | 220967 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||||
| 45102042 | 23803 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 522 | 13 | 3 | 7 | 2.9 | COC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](NC(=O)CCCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL1254395 | 23803 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 522 | 13 | 3 | 7 | 2.9 | COC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](NC(=O)CCCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL526550 | 222471 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||||
| CHEMBL3350357 | 218254 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 216792 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||||
| CHEMBL447989 | 220732 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||||
| CHEMBL3349598 | 218206 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||||
| CHEMBL3349616 | 218221 | 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](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 | |||||
| CHEMBL437451 | 220499 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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](Cc2ccc(CN)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)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+ | |||||
| CHEMBL3350899 | 218300 | 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(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 | |||||
| CHEMBL1824049 | 215812 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||||
| CHEMBL3349669 | 218232 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL2079626 | 215976 | 2 | 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](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL3349665 | 218228 | 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](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 | |||||
| 49865345 | 22683 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 22683 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
| CHEMBL387458 | 219189 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| 16737812 | 92281 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 508 | 10 | 3 | 3 | 4.9 | NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | |||
| CHEMBL227211 | 92281 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 508 | 10 | 3 | 3 | 4.9 | NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | |||
| CHEMBL2311181 | 216286 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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](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 | |||||
| 44368019 | 17037 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 17037 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
| 162651887 | 187050 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
| CHEMBL4750625 | 187050 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
| CHEMBL438247 | 220539 | 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](N)CSSC[C@@H](C(=O)O)NC1=O | 10.1021/jm060363v | |||||
| CHEMBL413735 | 219865 | 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)CNCCSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||||
| CHEMBL2011466 | 215893 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||||
| CHEMBL1824050 | 215813 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 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](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 | |||||
| CHEMBL451932 | 220752 | 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](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](CC2CCCCC2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 44325452 | 173884 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1115 | 17 | 10 | 13 | 3.8 | CC(C)(C)C1N[C@H](C(=O)NC(Cc2cccc3ccccc23)C(N)=O)CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL429000 | 173884 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1115 | 17 | 10 | 13 | 3.8 | CC(C)(C)C1N[C@H](C(=O)NC(Cc2cccc3ccccc23)C(N)=O)CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL2011464 | 215891 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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)NC1=O | 10.1021/ml200032v | |||||
| 25189054 | 19476 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | 19476 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | 19476 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||
| CHEMBL2011463 | 215890 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 10.1021/ml200032v | |||||
| 44325411 | 214251 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 618 | 11 | 4 | 6 | 3.5 | Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL94293 | 214251 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 618 | 11 | 4 | 6 | 3.5 | Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL453936 | 220769 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | |||||
| CHEMBL503596 | 220949 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | |||||
| CHEMBL455435 | 220782 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | |||||
| CHEMBL448431 | 220736 | 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]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 | |||||
| CHEMBL3350885 | 218287 | 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]([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 | |||||
| CHEMBL504248 | 220954 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||||
| 44560873 | 195926 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 195926 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
| 10114 | 9334 | 23 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 9334 | 23 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 9334 | 23 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||
| CHEMBL425090 | 220108 | 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](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 | 220755 | 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](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 | |||||
| CHEMBL452157 | 220755 | 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](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 | 220755 | 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](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 | 220755 | 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](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 | |||||
| CHEMBL504395 | 220955 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||||
| CHEMBL452157 | 220755 | 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](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 | 220755 | 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](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 | |||||
| 71603917 | 154711 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 462 | 4 | 0 | 9 | 1.2 | Cc1c([C@@H]2CN3CCN(C(=O)Cc4ccc(-n5cnnn5)cn4)C[C@H]3CO2)ccc(F)c1C#N | 10.1016/j.bmcl.2016.10.064 | |||
| CHEMBL3933749 | 154711 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 462 | 4 | 0 | 9 | 1.2 | Cc1c([C@@H]2CN3CCN(C(=O)Cc4ccc(-n5cnnn5)cn4)C[C@H]3CO2)ccc(F)c1C#N | 10.1016/j.bmcl.2016.10.064 | |||
| CHEMBL525030 | 222410 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||||
| CHEMBL409100 | 219525 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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](CCCCN)NC1=O | 10.1021/jm010037+ | |||||
| CHEMBL3350912 | 218309 | 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](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 | |||||
| CHEMBL408338 | 219485 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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](CCCCN)NC1=O | 10.1021/jm049520l | |||||
| CHEMBL265912 | 217450 | 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](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+ | |||||
| 118718507 | 122136 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 122136 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
| CHEMBL2011467 | 215894 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=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 | |||||
| 53321995 | 63537 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1699 | 27 | 22 | 23 | -3.1 | C[C@H](N)C(=O)NCC(=O)N[C@H]1Cc2ccc(cc2)N=N[C@@H](Cc2cnc[nH]2)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.bmc.2010.12.014 | |||
| CHEMBL1643384 | 63537 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1699 | 27 | 22 | 23 | -3.1 | C[C@H](N)C(=O)NCC(=O)N[C@H]1Cc2ccc(cc2)N=N[C@@H](Cc2cnc[nH]2)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.bmc.2010.12.014 | |||
| 44444935 | 101417 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 101417 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 22679 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 22679 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
| CHEMBL3349597 | 218205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||||
| CHEMBL2011461 | 215888 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=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 | |||||
| 25188220 | 19263 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 19263 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 19263 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
| 70689221 | 84631 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 84631 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
| CHEMBL3350883 | 218285 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||||
| 49865343 | 22681 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 22681 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||
| 44560872 | 195194 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1677 | 31 | 18 | 22 | -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)CCNC(=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 | |||
| CHEMBL502077 | 195194 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1677 | 31 | 18 | 22 | -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)CCNC(=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 | |||
| CHEMBL3349673 | 218235 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||||
| 118718854 | 122194 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 122194 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 218305 | 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)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 | |||||
| CHEMBL261895 | 217299 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||||
| CHEMBL3350908 | 218306 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||||
| CHEMBL3349679 | 218241 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||||
| 11535351 | 103827 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 103827 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||
| CHEMBL504457 | 220956 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||||
| CHEMBL410047 | 219576 | 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)[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 | |||||
| CHEMBL2372713 | 217063 | 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)[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 | |||||
| CHEMBL525397 | 222424 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | |||||
| CHEMBL524327 | 222381 | 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)[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 | |||||
| CHEMBL2011462 | 215889 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/ml200032v | |||||
| CHEMBL452074 | 220753 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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)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 | 202516 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 202516 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 222367 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | 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)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL509363 | 222213 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL3122124 | 217882 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||||
| CHEMBL2079559 | 215974 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||||
| 11468916 | 122241 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 122241 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||
| CHEMBL447177 | 220727 | 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](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(=O)NCC(=O)O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL3349674 | 218236 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||||
| CHEMBL367125 | 218937 | 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](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| 118718854 | 122194 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 122194 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
| CHEMBL3350898 | 218299 | 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](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 | |||||
| CHEMBL3350891 | 218293 | 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(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 | |||||
| CHEMBL412629 | 219791 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CNCc1ccc(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)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| CHEMBL3350893 | 218294 | 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](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 | |||||
| CHEMBL3350890 | 218292 | 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](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 | |||||
| CHEMBL3349618 | 218223 | 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](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 | |||||
| CHEMBL2371060 | 216786 | 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](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 | |||||
| CHEMBL3350884 | 218286 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||||
| CHEMBL262975 | 217335 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||||
| CHEMBL510901 | 222369 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||||
| 44368398 | 17038 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 17038 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
| CHEMBL368304 | 218940 | 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](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC1=O | 10.1021/jm049519m | |||||
| CHEMBL219201 | 216188 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | |||||
| CHEMBL440636 | 220647 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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)c(I)c2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)cc2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL504087 | 220952 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | |||||
| CHEMBL502219 | 220930 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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(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 | |||||
| 44325410 | 214080 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 604 | 11 | 4 | 6 | 3.2 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL93304 | 214080 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 604 | 11 | 4 | 6 | 3.2 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00568-6 | |||
| 52941607 | 23797 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 13 | 3 | 7 | 2.9 | COC[C@H]1O[C@H](OCCc2ccccc2)[C@H](NC(=O)CCCN)[C@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL1254321 | 23797 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 13 | 3 | 7 | 2.9 | COC[C@H]1O[C@H](OCCc2ccccc2)[C@H](NC(=O)CCCN)[C@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL3350909 | 218307 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||||
| 46902023 | 23810 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 23810 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
| CHEMBL3349668 | 218231 | 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](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 | |||||
| CHEMBL407649 | 219453 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||||
| CHEMBL2079558 | 215973 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL412029 | 219751 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | |||||
| CHEMBL3349675 | 218237 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL3350882 | 218284 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||||
| CHEMBL3349506 | 218190 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||||
| CHEMBL3350886 | 218288 | 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](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 | |||||
| CHEMBL3349677 | 218239 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL3349672 | 218234 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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](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 | |||||
| 25188218 | 19336 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 19336 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 19336 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
| CHEMBL3349671 | 218233 | 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](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 | |||||
| CHEMBL3349505 | 218189 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||||
| CHEMBL446380 | 220724 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | |||||
| 53321995 | 63537 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1699 | 27 | 22 | 23 | -3.1 | C[C@H](N)C(=O)NCC(=O)N[C@H]1Cc2ccc(cc2)N=N[C@@H](Cc2cnc[nH]2)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.bmc.2010.12.014 | |||
| CHEMBL1643384 | 63537 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1699 | 27 | 22 | 23 | -3.1 | C[C@H](N)C(=O)NCC(=O)N[C@H]1Cc2ccc(cc2)N=N[C@@H](Cc2cnc[nH]2)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.bmc.2010.12.014 | |||
| CHEMBL2372699 | 217060 | 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](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 | |||||
| 44298251 | 201450 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 201450 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
| CHEMBL3350888 | 218290 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 218290 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||||
| CHEMBL3349678 | 218240 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL3351090 | 218323 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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](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 | |||||
| CHEMBL3349667 | 218230 | 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](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 | |||||
| 16737814 | 92282 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 92282 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 92282 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 92282 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 92282 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 92282 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
| 44325451 | 113974 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 12 | 4 | 5 | 5.1 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL316559 | 113974 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 12 | 4 | 5 | 5.1 | CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(01)00568-6 | |||
| 49865346 | 22684 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
| CHEMBL1223231 | 22684 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
| CHEMBL505854 | 220977 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | |||||
| 44325409 | 213832 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 654 | 12 | 4 | 7 | 3.1 | Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL91696 | 213832 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 654 | 12 | 4 | 7 | 3.1 | Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(01)00568-6 | |||
| CHEMBL499760 | 220880 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | |||||
| CHEMBL505704 | 220975 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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(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 | |||||
| 49865344 | 22682 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 22682 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | |||
| CHEMBL498985 | 220868 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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(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 | |||||
| CHEMBL3122125 | 217883 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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](CC(N)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)[C@@H](C)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 | 10.1016/j.ejmech.2013.12.003 | |||||
| CHEMBL263587 | 217357 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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](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 | |||||
| CHEMBL3350906 | 218304 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||||
| 11642413 | 23872 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 23872 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
| CHEMBL408752 | 219509 | 0 | None | 54 | 4 | Human | 9.8 | pKd | = | 9.8 | 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)N1)C(N)=O | 10.1021/jm000361p | |||||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 9.2 | pKd | = | 9.2 | 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 | 10.1016/j.bmc.2016.08.001 | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 9.2 | pKd | = | 9.2 | 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 | 10.1016/j.bmc.2016.08.001 | |||
| 23656026 | 101041 | 0 | None | 3 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 455 | 3 | 0 | 4 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250304 | 101041 | 0 | None | 3 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 455 | 3 | 0 | 4 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL421362 | 220053 | 0 | None | 14 | 5 | Human | 9.1 | pKd | = | 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]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | |||||
| CHEMBL407571 | 219448 | 0 | None | 4 | 4 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | None | None | None | CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)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](Cc2ccccc2)NC1=O | 10.1021/jm000361p | |||||
| CHEMBL405421 | 219339 | 0 | None | 12 | 4 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=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/jm000361p | |||||
| CHEMBL5078260 | 222318 | 0 | None | - | 1 | Mouse | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL5095749 | 222318 | 0 | None | - | 1 | Mouse | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL412466 | 219771 | 0 | None | 4 | 4 | Human | 8.7 | pKd | = | 8.7 | 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)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| CHEMBL385409 | 219128 | 0 | None | 1 | 4 | Human | 8.0 | pKd | = | 8.0 | 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)N1)C(N)=O | 10.1021/jm000361p | |||||
| 44441898 | 100999 | 0 | None | -1230 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 444 | 3 | 0 | 5 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL249932 | 100999 | 0 | None | -1230 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 444 | 3 | 0 | 5 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441885 | 101203 | 0 | None | -3630 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 477 | 3 | 0 | 7 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nsnc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251120 | 101203 | 0 | None | -3630 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 477 | 3 | 0 | 7 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nsnc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441676 | 100791 | 0 | None | -1258 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 510 | 5 | 0 | 7 | 3.7 | COc1ccc(SC)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL248717 | 100791 | 0 | None | -1258 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 510 | 5 | 0 | 7 | 3.7 | COc1ccc(SC)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 44441678 | 100827 | 0 | None | -12022 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 506 | 4 | 0 | 9 | 2.3 | COc1ccc(C=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL248908 | 100827 | 0 | None | -12022 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 506 | 4 | 0 | 9 | 2.3 | COc1ccc(C=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 44441658 | 101239 | 0 | None | -588 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251334 | 101239 | 0 | None | -588 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441870 | 175910 | 0 | None | -2884 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 445 | 3 | 0 | 6 | 2.3 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL440233 | 175910 | 0 | None | -2884 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 445 | 3 | 0 | 6 | 2.3 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 23656025 | 100869 | 0 | None | -8511 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 450 | 4 | 1 | 6 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL249113 | 100869 | 0 | None | -8511 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 450 | 4 | 1 | 6 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 44441658 | 101239 | 0 | None | -588 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251334 | 101239 | 0 | None | -588 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 44441872 | 101046 | 0 | None | -18 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 568 | 5 | 0 | 8 | 2.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccc4OS(=O)(=O)C(F)(F)F)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250314 | 101046 | 0 | None | -18 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 568 | 5 | 0 | 8 | 2.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccc4OS(=O)(=O)C(F)(F)F)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441899 | 161114 | 0 | None | -8511 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL398681 | 161114 | 0 | None | -8511 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441875 | 175911 | 0 | None | -1513 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 450 | 3 | 0 | 6 | 1.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)n4C)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL440235 | 175911 | 0 | None | -1513 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 450 | 3 | 0 | 6 | 1.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)n4C)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441659 | 161459 | 0 | None | -7762 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 538 | 4 | 0 | 7 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL399658 | 161459 | 0 | None | -7762 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 538 | 4 | 0 | 7 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 9871544 | 20988 | 3 | None | -23 | 11 | Rat | 6.9 | pKd | = | 6.9 | 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 | 20988 | 3 | None | -23 | 11 | Rat | 6.9 | pKd | = | 6.9 | 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 | 20988 | 3 | None | -23 | 11 | Rat | 6.9 | pKd | = | 6.9 | 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 | |||
| 44441874 | 161067 | 0 | None | -1548 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 436 | 3 | 1 | 5 | 1.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)[nH]4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL398655 | 161067 | 0 | None | -1548 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 436 | 3 | 1 | 5 | 1.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)[nH]4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL438471 | 220552 | 0 | None | -15 | 4 | Human | 6.9 | pKd | = | 6.9 | 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)[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/jm000361p | |||||
| 44447048 | 161767 | 0 | None | -31622 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 493 | 3 | 1 | 5 | 3.3 | CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Cl)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL401309 | 161767 | 0 | None | -31622 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 493 | 3 | 1 | 5 | 3.3 | CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Cl)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O | 10.1016/j.bmcl.2007.12.030 | |||
| 9849682 | 101727 | 0 | None | -60255 | 10 | Human | 4.9 | pKd | = | 4.9 | 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 | 101727 | 0 | None | -60255 | 10 | Human | 4.9 | pKd | = | 4.9 | 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 | |||
| 10162564 | 19312 | 0 | None | -21379 | 8 | Human | 4.9 | pKd | = | 4.9 | 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 | 19312 | 0 | None | -21379 | 8 | Human | 4.9 | pKd | = | 4.9 | 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 | 19312 | 0 | None | -21379 | 8 | Human | 4.9 | pKd | = | 4.9 | 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 | |||
| 44447078 | 101392 | 0 | None | -69 | 7 | Rat | 4.9 | pKd | = | 4.9 | 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 | 101392 | 0 | None | -69 | 7 | Rat | 4.9 | pKd | = | 4.9 | 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 | |||
| 44447069 | 101419 | 0 | None | -21379 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 484 | 2 | 1 | 3 | 4.4 | CN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252428 | 101419 | 0 | None | -21379 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 484 | 2 | 1 | 3 | 4.4 | CN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL384164 | 219097 | 0 | None | 6 | 3 | Human | 7.9 | pKd | = | 7.9 | 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)[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/jm000361p | |||||
| 44441902 | 161654 | 0 | None | -562 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 487 | 3 | 0 | 4 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL400709 | 161654 | 0 | None | -562 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 487 | 3 | 0 | 4 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44447042 | 101697 | 0 | None | -13489 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 542 | 3 | 1 | 3 | 4.9 | CCN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL254287 | 101697 | 0 | None | -13489 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 542 | 3 | 1 | 3 | 4.9 | CCN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441674 | 161396 | 0 | None | -3890 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 498 | 4 | 0 | 6 | 3.6 | COc1ccc(Cl)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL399267 | 161396 | 0 | None | -3890 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 498 | 4 | 0 | 6 | 3.6 | COc1ccc(Cl)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL411017 | 219637 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | 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)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| CHEMBL265636 | 217437 | 0 | None | 8 | 4 | Human | 7.8 | pKd | = | 7.8 | 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](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 | |||||
| 44441881 | 161069 | 0 | None | -2454 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 472 | 3 | 0 | 7 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL398656 | 161069 | 0 | None | -2454 | 2 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 472 | 3 | 0 | 7 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44564784 | 183720 | 0 | None | -43 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCn1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL462157 | 183720 | 0 | None | -43 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCn1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441908 | 101163 | 0 | None | -91 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 477 | 4 | 0 | 6 | 2.9 | COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250900 | 101163 | 0 | None | -91 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 477 | 4 | 0 | 6 | 2.9 | COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441680 | 100868 | 0 | None | -11 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@@H]1C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL249112 | 100868 | 0 | None | -11 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@@H]1C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 134150680 | 158688 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1086 | 17 | 13 | 14 | 0.2 | 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(C(F)(F)F)[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1016/j.bmc.2016.08.001 | |||
| CHEMBL3966064 | 158688 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1086 | 17 | 13 | 14 | 0.2 | 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(C(F)(F)F)[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1016/j.bmc.2016.08.001 | |||
| 46865536 | 18691 | 0 | None | -19 | 7 | Rat | 6.8 | pKd | = | 6.8 | 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 | 18691 | 0 | None | -19 | 7 | Rat | 6.8 | pKd | = | 6.8 | 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 | 18691 | 0 | None | -19 | 7 | Rat | 6.8 | pKd | = | 6.8 | 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 | |||
| 44441664 | 101306 | 0 | None | -3235 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 550 | 4 | 0 | 8 | 4.3 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)OC(C)(C)C)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251751 | 101306 | 0 | None | -3235 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 550 | 4 | 0 | 8 | 4.3 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)OC(C)(C)C)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44564786 | 183595 | 0 | None | -60 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 446 | 8 | 0 | 5 | 4.0 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL460934 | 183595 | 0 | None | -60 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 446 | 8 | 0 | 5 | 4.0 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441909 | 100996 | 0 | None | -10 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 462 | 4 | 1 | 5 | 2.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL249892 | 100996 | 0 | None | -10 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 462 | 4 | 1 | 5 | 2.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441916 | 161548 | 0 | None | -5888 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 462 | 3 | 0 | 5 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL400136 | 161548 | 0 | None | -5888 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 462 | 3 | 0 | 5 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441663 | 101266 | 0 | None | -660 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 534 | 4 | 0 | 7 | 3.9 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)C(C)(C)C)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251529 | 101266 | 0 | None | -660 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 534 | 4 | 0 | 7 | 3.9 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)C(C)(C)C)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44447011 | 101573 | 0 | None | -3715 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 493 | 2 | 1 | 4 | 3.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL253438 | 101573 | 0 | None | -3715 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 493 | 2 | 1 | 4 | 3.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441867 | 101020 | 0 | None | -9 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccncc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250111 | 101020 | 0 | None | -9 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccncc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44447023 | 101320 | 0 | None | -6 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 477 | 3 | 1 | 5 | 2.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c([S+](C)[O-])c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL251801 | 101320 | 0 | None | -6 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 477 | 3 | 1 | 5 | 2.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c([S+](C)[O-])c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44447006 | 101541 | 0 | None | -1258 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 415 | 2 | 1 | 4 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL253232 | 101541 | 0 | None | -1258 | 2 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 415 | 2 | 1 | 4 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44564815 | 196531 | 0 | None | -1905 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 498 | 9 | 0 | 5 | 5.2 | CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL515907 | 196531 | 0 | None | -1905 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 498 | 9 | 0 | 5 | 5.2 | CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44564744 | 183722 | 0 | None | -630 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 498 | 8 | 0 | 5 | 4.7 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Cc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL462159 | 183722 | 0 | None | -630 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 498 | 8 | 0 | 5 | 4.7 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Cc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441890 | 101237 | 0 | None | -1047 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251311 | 101237 | 0 | None | -1047 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441672 | 101308 | 0 | None | -3311 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 618 | 5 | 0 | 10 | 3.5 | Cc1ccc(S(=O)(=O)Oc2cccc3c2C[C@H]2C[C@@H](C(=O)N4CCN(c5ccc6nsnc6n5)CC4)CN(C)[C@@H]2C3)cc1 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251753 | 101308 | 0 | None | -3311 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 618 | 5 | 0 | 10 | 3.5 | Cc1ccc(S(=O)(=O)Oc2cccc3c2C[C@H]2C[C@@H](C(=O)N4CCN(c5ccc6nsnc6n5)CC4)CN(C)[C@@H]2C3)cc1 | 10.1016/j.bmcl.2007.04.086 | |||
| 10162564 | 19312 | 0 | None | -33884 | 8 | Rat | 4.7 | pKd | = | 4.7 | 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 | 19312 | 0 | None | -33884 | 8 | Rat | 4.7 | pKd | = | 4.7 | 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 | 19312 | 0 | None | -33884 | 8 | Rat | 4.7 | pKd | = | 4.7 | 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 | |||
| 9849682 | 101727 | 0 | None | -95499 | 10 | Rat | 4.7 | pKd | = | 4.7 | 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 | 101727 | 0 | None | -95499 | 10 | Rat | 4.7 | pKd | = | 4.7 | 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 | |||
| 44447060 | 201610 | 0 | None | -363 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 526 | 2 | 1 | 3 | 4.9 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL539415 | 201610 | 0 | None | -363 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 526 | 2 | 1 | 3 | 4.9 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441910 | 100997 | 0 | None | -11 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 518 | 6 | 0 | 5 | 3.6 | CCN(CC)C(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL249893 | 100997 | 0 | None | -11 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 518 | 6 | 0 | 5 | 3.6 | CCN(CC)C(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441871 | 101045 | 0 | None | -190 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 488 | 3 | 0 | 5 | 3.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250313 | 101045 | 0 | None | -190 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 488 | 3 | 0 | 5 | 3.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL2370167 | 216585 | 0 | None | 45 | 5 | Human | 8.7 | pKd | = | 8.7 | 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 | |||||
| CHEMBL5089315 | 222326 | 0 | None | - | 1 | Mouse | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL5095828 | 222326 | 0 | None | - | 1 | Mouse | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL5078027 | 222321 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL5095771 | 222321 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL2370168 | 216586 | 0 | None | 18 | 5 | Human | 8.5 | pKd | = | 8.5 | 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 | |||||
| 44441928 | 101201 | 0 | None | -4 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 474 | 3 | 1 | 5 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251111 | 101201 | 0 | None | -4 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 474 | 3 | 1 | 5 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44447077 | 101391 | 0 | None | -48 | 7 | Rat | 4.7 | pKd | = | 4.7 | 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 | 101391 | 0 | None | -48 | 7 | Rat | 4.7 | pKd | = | 4.7 | 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 | |||
| 44441879 | 101131 | 0 | None | -75 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 3.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5ccccc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250724 | 101131 | 0 | None | -75 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 3.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5ccccc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 46880588 | 20989 | 0 | None | -28 | 7 | Rat | 4.7 | pKd | = | 4.7 | 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 | 20989 | 0 | None | -28 | 7 | Rat | 4.7 | pKd | = | 4.7 | 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 | 20989 | 0 | None | -28 | 7 | Rat | 4.7 | pKd | = | 4.7 | 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 | |||
| 44441887 | 101204 | 0 | None | -239 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 460 | 3 | 0 | 7 | 2.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251121 | 101204 | 0 | None | -239 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 460 | 3 | 0 | 7 | 2.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441893 | 100968 | 0 | None | -6456 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL249723 | 100968 | 0 | None | -6456 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44447052 | 161730 | 0 | None | -112 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 448 | 2 | 1 | 3 | 4.1 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL401130 | 161730 | 0 | None | -112 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 448 | 2 | 1 | 3 | 4.1 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441923 | 101128 | 0 | None | -85 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 478 | 4 | 0 | 6 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250715 | 101128 | 0 | None | -85 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 478 | 4 | 0 | 6 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 46865535 | 12311 | 0 | None | -67 | 7 | Rat | 6.6 | pKd | = | 6.6 | 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 | 12311 | 0 | None | -67 | 7 | Rat | 6.6 | pKd | = | 6.6 | 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 | |||
| CHEMBL407209 | 219426 | 1 | None | -38 | 4 | Human | 7.6 | pKd | = | 7.6 | 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](Cc2ccccc2)C(=O)N(C)[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/jm000361p | |||||
| 44441926 | 101165 | 0 | None | -77 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 417 | 3 | 0 | 4 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250914 | 101165 | 0 | None | -77 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 417 | 3 | 0 | 4 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441927 | 101200 | 0 | None | -4 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 418 | 3 | 0 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ncccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251110 | 101200 | 0 | None | -4 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 418 | 3 | 0 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ncccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441905 | 101125 | 0 | None | -38 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 435 | 3 | 1 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250704 | 101125 | 0 | None | -38 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 435 | 3 | 1 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441924 | 101164 | 0 | None | -30 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 450 | 3 | 0 | 3 | 4.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250912 | 101164 | 0 | None | -30 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 450 | 3 | 0 | 3 | 4.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441868 | 161619 | 0 | None | -478 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 421 | 3 | 0 | 6 | 1.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccnn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL400481 | 161619 | 0 | None | -478 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 421 | 3 | 0 | 6 | 1.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccnn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL413830 | 219868 | 0 | None | 2 | 5 | Human | 7.6 | pKd | = | 7.6 | 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](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 | |||||
| 44441894 | 161690 | 0 | None | -7762 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL400907 | 161690 | 0 | None | -7762 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44447049 | 101729 | 0 | None | -93325 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 537 | 3 | 1 | 5 | 3.4 | CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL254505 | 101729 | 0 | None | -93325 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 537 | 3 | 1 | 5 | 3.4 | CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O | 10.1016/j.bmcl.2007.12.030 | |||
| 44441869 | 161649 | 0 | None | -58 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 421 | 3 | 0 | 6 | 1.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL400677 | 161649 | 0 | None | -58 | 2 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 421 | 3 | 0 | 6 | 1.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441679 | 100867 | 0 | None | -83 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 520 | 4 | 0 | 9 | 2.7 | COc1ccc(C(C)=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL249111 | 100867 | 0 | None | -83 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 520 | 4 | 0 | 9 | 2.7 | COc1ccc(C(C)=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL5087925 | 222335 | 0 | None | - | 1 | Mouse | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL5095894 | 222335 | 0 | None | - | 1 | Mouse | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| 44447074 | 101326 | 0 | None | -2951 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 473 | 2 | 1 | 7 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL251836 | 101326 | 0 | None | -2951 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 473 | 2 | 1 | 7 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44447062 | 101357 | 0 | None | -812 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 459 | 3 | 1 | 5 | 3.4 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252029 | 101357 | 0 | None | -812 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 459 | 3 | 1 | 5 | 3.4 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441660 | 101240 | 0 | None | -204 | 2 | Rat | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 390 | 2 | 0 | 4 | 2.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3ccccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251335 | 101240 | 0 | None | -204 | 2 | Rat | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 390 | 2 | 0 | 4 | 2.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3ccccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44564702 | 196647 | 0 | None | -190 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 512 | 8 | 0 | 5 | 4.9 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2CCc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL516837 | 196647 | 0 | None | -190 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 512 | 8 | 0 | 5 | 4.9 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2CCc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441884 | 101168 | 0 | None | -2041 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 461 | 3 | 0 | 7 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nonc5c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250922 | 101168 | 0 | None | -2041 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 461 | 3 | 0 | 7 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nonc5c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441921 | 101127 | 0 | None | -165 | 2 | Rat | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 434 | 3 | 0 | 5 | 2.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250713 | 101127 | 0 | None | -165 | 2 | Rat | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 434 | 3 | 0 | 5 | 2.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 46865536 | 18691 | 0 | None | -457 | 7 | Human | 5.5 | pKd | = | 5.5 | 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 | 18691 | 0 | None | -457 | 7 | Human | 5.5 | pKd | = | 5.5 | 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 | 18691 | 0 | None | -457 | 7 | Human | 5.5 | pKd | = | 5.5 | 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 | |||
| 44441666 | 161499 | 0 | None | -2290 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 582 | 5 | 0 | 8 | 3.2 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL399843 | 161499 | 0 | None | -2290 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 582 | 5 | 0 | 8 | 3.2 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44441883 | 101167 | 0 | None | -999 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 461 | 3 | 0 | 7 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nonc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250921 | 101167 | 0 | None | -999 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 461 | 3 | 0 | 7 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nonc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 2030 | 10444 | 10 | None | -51286 | 10 | Human | 4.4 | pKd | = | 4.4 | 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 | 10444 | 10 | None | -51286 | 10 | Human | 4.4 | pKd | = | 4.4 | 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 | 10444 | 10 | None | -51286 | 10 | Human | 4.4 | pKd | = | 4.4 | 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 | |||
| 44441665 | 175912 | 0 | None | -9120 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 528 | 5 | 0 | 8 | 2.3 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL440236 | 175912 | 0 | None | -9120 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 528 | 5 | 0 | 8 | 2.3 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 46880588 | 20989 | 0 | None | -52 | 7 | Human | 4.4 | pKd | = | 4.4 | 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 | 20989 | 0 | None | -52 | 7 | Human | 4.4 | pKd | = | 4.4 | 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 | 20989 | 0 | None | -52 | 7 | Human | 4.4 | pKd | = | 4.4 | 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 | |||
| 44447078 | 101392 | 0 | None | -21 | 7 | 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 | |||
| CHEMBL252232 | 101392 | 0 | None | -21 | 7 | 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 | |||
| 44441673 | 101309 | 0 | None | -9772 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 596 | 4 | 0 | 10 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251754 | 101309 | 0 | None | -9772 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 596 | 4 | 0 | 10 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44447075 | 101360 | 0 | None | -16218 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 507 | 2 | 1 | 7 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252032 | 101360 | 0 | None | -16218 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 507 | 2 | 1 | 7 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL5078119 | 222322 | 0 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL5095772 | 222322 | 0 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL386676 | 219165 | 0 | None | 2 | 4 | Human | 7.4 | pKd | = | 7.4 | 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)[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/jm000361p | |||||
| 44564856 | 186451 | 0 | None | -575 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 5.3 | C=CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL474345 | 186451 | 0 | None | -575 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 5.3 | C=CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44565112 | 19531 | 0 | None | -5623 | 6 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL1187847 | 19531 | 0 | None | -5623 | 6 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL523814 | 19531 | 0 | None | -5623 | 6 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44565112 | 19531 | 0 | None | -5623 | 6 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL1187847 | 19531 | 0 | None | -5623 | 6 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL523814 | 19531 | 0 | None | -5623 | 6 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441886 | 161541 | 0 | None | -398 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 477 | 3 | 0 | 7 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL400099 | 161541 | 0 | None | -398 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 477 | 3 | 0 | 7 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441917 | 101042 | 0 | None | -1348 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 489 | 4 | 0 | 7 | 2.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250305 | 101042 | 0 | None | -1348 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 489 | 4 | 0 | 7 | 2.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441932 | 101236 | 0 | None | -4 | 2 | Rat | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 343 | 2 | 1 | 4 | 1.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCNCC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251301 | 101236 | 0 | None | -4 | 2 | Rat | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 343 | 2 | 1 | 4 | 1.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCNCC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 9871544 | 20988 | 3 | None | -933 | 11 | Human | 5.3 | pKd | = | 5.3 | 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 | 20988 | 3 | None | -933 | 11 | Human | 5.3 | pKd | = | 5.3 | 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 | 20988 | 3 | None | -933 | 11 | Human | 5.3 | pKd | = | 5.3 | 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 | |||
| 44447076 | 101361 | 0 | None | -12302 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 551 | 2 | 1 | 7 | 3.6 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252033 | 101361 | 0 | None | -12302 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 551 | 2 | 1 | 7 | 3.6 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441670 | 161423 | 0 | None | -3981 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 554 | 5 | 0 | 8 | 4.0 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OCc3ccccc3)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL399464 | 161423 | 0 | None | -3981 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 554 | 5 | 0 | 8 | 4.0 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OCc3ccccc3)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44441918 | 173650 | 0 | None | -44 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 532 | 4 | 0 | 6 | 4.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL428583 | 173650 | 0 | None | -44 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 532 | 4 | 0 | 6 | 4.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44447045 | 101726 | 0 | None | -125892 | 2 | Rat | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 479 | 2 | 1 | 5 | 2.8 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL254499 | 101726 | 0 | None | -125892 | 2 | Rat | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 479 | 2 | 1 | 5 | 2.8 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44564703 | 197276 | 0 | None | -446 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.3 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2C=Cc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL517921 | 197276 | 0 | None | -446 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.3 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2C=Cc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441903 | 101124 | 0 | None | -18 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 487 | 3 | 0 | 4 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250703 | 101124 | 0 | None | -18 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 487 | 3 | 0 | 4 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441671 | 161763 | 0 | None | -23988 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 542 | 4 | 0 | 10 | 1.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL401290 | 161763 | 0 | None | -23988 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 542 | 4 | 0 | 10 | 1.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44447071 | 160903 | 0 | None | -13182 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 490 | 2 | 1 | 6 | 3.7 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL398526 | 160903 | 0 | None | -13182 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 490 | 2 | 1 | 6 | 3.7 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441877 | 101080 | 0 | None | -602 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 494 | 3 | 0 | 5 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccc(C#N)cc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250522 | 101080 | 0 | None | -602 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 494 | 3 | 0 | 5 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccc(C#N)cc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441878 | 101130 | 0 | None | -7 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 484 | 3 | 0 | 5 | 3.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc(C)nc5ccccc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250723 | 101130 | 0 | None | -7 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 484 | 3 | 0 | 5 | 3.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc(C)nc5ccccc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441919 | 161549 | 0 | None | -3019 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 542 | 5 | 0 | 8 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4S(C)(=O)=O)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL400137 | 161549 | 0 | None | -3019 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 542 | 5 | 0 | 8 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4S(C)(=O)=O)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 46865535 | 12311 | 0 | None | -1621 | 7 | Human | 5.3 | pKd | = | 5.3 | 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 | 12311 | 0 | None | -1621 | 7 | Human | 5.3 | pKd | = | 5.3 | 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 | |||
| 44441876 | 101079 | 0 | None | -63 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 469 | 3 | 0 | 4 | 4.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccccc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250521 | 101079 | 0 | None | -63 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 469 | 3 | 0 | 4 | 4.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccccc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441880 | 176006 | 0 | None | -19 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 3.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5ccccc5cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL440962 | 176006 | 0 | None | -19 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 3.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5ccccc5cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL384836 | 219116 | 0 | None | -3 | 5 | Human | 7.3 | pKd | = | 7.3 | 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 | |||||
| CHEMBL409019 | 219521 | 0 | None | -1 | 5 | Human | 7.3 | pKd | = | 7.3 | 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 | |||||
| 44447014 | 101604 | 0 | None | -338 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 541 | 2 | 1 | 4 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(I)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL253653 | 101604 | 0 | None | -338 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 541 | 2 | 1 | 4 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(I)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441669 | 100789 | 0 | None | -4677 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 478 | 3 | 0 | 8 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL248715 | 100789 | 0 | None | -4677 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 478 | 3 | 0 | 8 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441669 | 100789 | 0 | None | -4677 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 478 | 3 | 0 | 8 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL248715 | 100789 | 0 | None | -4677 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 478 | 3 | 0 | 8 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 44441661 | 101267 | 0 | None | -7079 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 3.8 | CC(C)Oc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251542 | 101267 | 0 | None | -7079 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 3.8 | CC(C)Oc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 44447058 | 161731 | 0 | None | -1412 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 482 | 2 | 1 | 3 | 4.8 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL401131 | 161731 | 0 | None | -1412 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 482 | 2 | 1 | 3 | 4.8 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL2370166 | 216584 | 0 | None | 7 | 5 | Human | 8.2 | pKd | = | 8.2 | 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 | |||||
| CHEMBL5087277 | 222347 | 0 | None | - | 1 | Mouse | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL5096010 | 222347 | 0 | None | - | 1 | Mouse | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| 44564745 | 183739 | 0 | None | -478 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 516 | 8 | 0 | 6 | 5.3 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL462335 | 183739 | 0 | None | -478 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 516 | 8 | 0 | 6 | 5.3 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL437093 | 220484 | 0 | None | 1 | 5 | Human | 7.2 | pKd | = | 7.2 | 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 | |||||
| 44441930 | 101235 | 0 | None | -87 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 3.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCc4c([nH]c5ccccc45)C3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251300 | 101235 | 0 | None | -87 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 3.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCc4c([nH]c5ccccc45)C3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441677 | 100826 | 0 | None | -5248 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 556 | 3 | 0 | 8 | 3.2 | COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL248907 | 100826 | 0 | None | -5248 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 556 | 3 | 0 | 8 | 3.2 | COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 17955460 | 183554 | 0 | None | -8317 | 9 | Rat | 5.2 | pKd | = | 5.2 | 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 | 183554 | 0 | None | -8317 | 9 | Rat | 5.2 | pKd | = | 5.2 | 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 | |||
| 44447073 | 101325 | 0 | None | -17378 | 10 | Rat | 5.2 | pKd | = | 5.2 | 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 | 101325 | 0 | None | -17378 | 10 | Rat | 5.2 | pKd | = | 5.2 | 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 | |||
| 44441873 | 101202 | 0 | None | -63 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 526 | 6 | 0 | 6 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(OCc5ccccc5)n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL251116 | 101202 | 0 | None | -63 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 526 | 6 | 0 | 6 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(OCc5ccccc5)n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44447073 | 101325 | 0 | None | -18197 | 10 | Human | 5.2 | pKd | = | 5.2 | 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 | 101325 | 0 | None | -18197 | 10 | Human | 5.2 | pKd | = | 5.2 | 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 | |||
| 44564746 | 183740 | 0 | None | -7585 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 500 | 8 | 0 | 6 | 4.9 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL462336 | 183740 | 0 | None | -7585 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 500 | 8 | 0 | 6 | 4.9 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441900 | 101075 | 0 | None | -5128 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250498 | 101075 | 0 | None | -5128 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 17955460 | 183554 | 0 | None | -8912 | 9 | Human | 5.2 | pKd | = | 5.2 | 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 | 183554 | 0 | None | -8912 | 9 | Human | 5.2 | pKd | = | 5.2 | 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 | |||
| 44564783 | 183704 | 0 | None | -9772 | 4 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 484 | 8 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL461988 | 183704 | 0 | None | -9772 | 4 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 484 | 8 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44564857 | 185717 | 0 | None | -151 | 4 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 524 | 10 | 0 | 5 | 5.5 | O=C(CCN(CCC1c2ccccc2-c2ccccc21)CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL470331 | 185717 | 0 | None | -151 | 4 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 524 | 10 | 0 | 5 | 5.5 | O=C(CCN(CCC1c2ccccc2-c2ccccc21)CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441882 | 101166 | 0 | None | -19 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 472 | 3 | 0 | 7 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5nccnc5cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250920 | 101166 | 0 | None | -19 | 2 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 472 | 3 | 0 | 7 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5nccnc5cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441668 | 101307 | 0 | None | -1202 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 476 | 4 | 0 | 6 | 3.2 | CC(=O)c1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251752 | 101307 | 0 | None | -1202 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 476 | 4 | 0 | 6 | 3.2 | CC(=O)c1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 44441667 | 161720 | 0 | None | -457 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 459 | 3 | 0 | 6 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(C#N)cccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL401091 | 161720 | 0 | None | -457 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 459 | 3 | 0 | 6 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(C#N)cccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44447066 | 101388 | 0 | None | -5370 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 537 | 3 | 1 | 5 | 4.1 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252229 | 101388 | 0 | None | -5370 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 537 | 3 | 1 | 5 | 4.1 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44441897 | 100998 | 0 | None | -3715 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 444 | 3 | 0 | 5 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL249930 | 100998 | 0 | None | -3715 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 444 | 3 | 0 | 5 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 2030 | 10444 | 10 | None | -10964 | 10 | Rat | 5.1 | pKd | = | 5.1 | 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.2007.04.078 | |||
| 5311377 | 10444 | 10 | None | -10964 | 10 | Rat | 5.1 | pKd | = | 5.1 | 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.2007.04.078 | |||
| CHEMBL251541 | 10444 | 10 | None | -10964 | 10 | Rat | 5.1 | pKd | = | 5.1 | 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.2007.04.078 | |||
| 2030 | 10444 | 10 | None | -10964 | 10 | Rat | 5.1 | pKd | = | 5.1 | 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 | 10444 | 10 | None | -10964 | 10 | Rat | 5.1 | pKd | = | 5.1 | 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 | 10444 | 10 | None | -10964 | 10 | Rat | 5.1 | pKd | = | 5.1 | 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 | |||
| 44441662 | 101268 | 0 | None | -416 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 450 | 3 | 1 | 6 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251543 | 101268 | 0 | None | -416 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 450 | 3 | 1 | 6 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | |||
| 44447043 | 101698 | 0 | None | -10232 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 445 | 2 | 1 | 5 | 2.2 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL254288 | 101698 | 0 | None | -10232 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 445 | 2 | 1 | 5 | 2.2 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44447025 | 161726 | 0 | None | -25 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 493 | 3 | 1 | 6 | 2.3 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(S(C)(=O)=O)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL401108 | 161726 | 0 | None | -25 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 493 | 3 | 1 | 6 | 2.3 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(S(C)(=O)=O)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44447026 | 101355 | 0 | None | -46 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 479 | 2 | 2 | 4 | 3.3 | O=C([C@H]1CN[C@@H]2Cc3c(Br)[nH]c4cccc(c34)[C@H]2C1)N1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252002 | 101355 | 0 | None | -46 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 479 | 2 | 2 | 4 | 3.3 | O=C([C@H]1CN[C@@H]2Cc3c(Br)[nH]c4cccc(c34)[C@H]2C1)N1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL5086057 | 222345 | 0 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL5095976 | 222345 | 0 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01791 | |||||
| CHEMBL405561 | 219345 | 0 | None | -3 | 4 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=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)N1)C(N)=O | 10.1021/jm000361p | |||||
| 44565159 | 201670 | 0 | None | -25118 | 5 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL540705 | 201670 | 0 | None | -25118 | 5 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44447038 | 101448 | 0 | None | -16595 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 528 | 2 | 1 | 3 | 4.5 | CN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252618 | 101448 | 0 | None | -16595 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 528 | 2 | 1 | 3 | 4.5 | CN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44564814 | 186816 | 0 | None | -602 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 486 | 10 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL474752 | 186816 | 0 | None | -602 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 486 | 10 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.01.072 | |||
| 44447016 | 101605 | 0 | None | -35 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 431 | 2 | 2 | 5 | 2.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(O)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL253654 | 101605 | 0 | None | -35 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 431 | 2 | 2 | 5 | 2.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(O)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 44447019 | 101640 | 0 | None | -3548 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 461 | 3 | 1 | 5 | 3.6 | CSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CN1C | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL253879 | 101640 | 0 | None | -3548 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 461 | 3 | 1 | 5 | 3.6 | CSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CN1C | 10.1016/j.bmcl.2007.12.030 | |||
| 44564785 | 183721 | 0 | None | -112 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 446 | 8 | 0 | 5 | 4.0 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1cccc2ccccc12 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL462158 | 183721 | 0 | None | -112 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 446 | 8 | 0 | 5 | 4.0 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1cccc2ccccc12 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441913 | 101019 | 0 | None | -13 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 497 | 4 | 0 | 6 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250098 | 101019 | 0 | None | -13 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 497 | 4 | 0 | 6 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441906 | 101126 | 0 | None | -57 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 461 | 4 | 0 | 5 | 3.3 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL250705 | 101126 | 0 | None | -57 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 461 | 4 | 0 | 5 | 3.3 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44447064 | 161149 | 0 | None | -7079 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 493 | 3 | 1 | 5 | 4.0 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL398712 | 161149 | 0 | None | -7079 | 2 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 493 | 3 | 1 | 5 | 4.0 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL413373 | 219841 | 0 | None | -3 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | None | None | None | CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)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](Cc2ccccc2)NC1=O | 10.1021/jm000361p | |||||
| 44564816 | 196292 | 0 | None | -194 | 2 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 512 | 9 | 0 | 5 | 5.5 | CC(C)N(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL514027 | 196292 | 0 | None | -194 | 2 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 512 | 9 | 0 | 5 | 5.5 | CC(C)N(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 44441914 | 160682 | 0 | None | -15 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 498 | 4 | 1 | 6 | 1.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL398319 | 160682 | 0 | None | -15 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 498 | 4 | 1 | 6 | 1.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441931 | 161601 | 0 | None | -19 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| CHEMBL400386 | 161601 | 0 | None | -19 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | |||
| 44441675 | 100790 | 0 | None | -1995 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 542 | 4 | 0 | 6 | 3.8 | COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL248716 | 100790 | 0 | None | -1995 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 542 | 4 | 0 | 6 | 3.8 | COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | |||
| 44447077 | 101391 | 0 | None | -22 | 7 | Human | 5.0 | pKd | = | 5.0 | 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 | 101391 | 0 | None | -22 | 7 | Human | 5.0 | pKd | = | 5.0 | 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 | |||
| 15965425 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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/acs.jmedchem.6b01029 | |||
| 2046 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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/acs.jmedchem.6b01029 | |||
| CHEMBL99895 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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/acs.jmedchem.6b01029 | |||
| 15965425 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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 | |||
| 15965425 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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/jm0108449 | |||
| 2046 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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/jm0108449 | |||
| CHEMBL99895 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | 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/jm0108449 | |||
| 155567788 | 182826 | 0 | None | - | 1 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 1786 | 27 | 15 | 26 | 3.9 | 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(=O)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 | |||
| CHEMBL4590517 | 182826 | 0 | None | - | 1 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 1786 | 27 | 15 | 26 | 3.9 | 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(=O)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 | |||
| 155551297 | 180731 | 0 | None | - | 1 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 1858 | 31 | 16 | 27 | 4.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=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 | |||
| CHEMBL4541310 | 180731 | 0 | None | - | 1 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 1858 | 31 | 16 | 27 | 4.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=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 | |||
| 155554925 | 181101 | 0 | None | - | 1 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 1860 | 30 | 16 | 28 | 3.7 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCOc1ccc(C[C@@H](N)C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)cc1)[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 | |||
| CHEMBL4550617 | 181101 | 0 | None | - | 1 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 1860 | 30 | 16 | 28 | 3.7 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCOc1ccc(C[C@@H](N)C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)cc1)[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 | |||
| 155562010 | 182601 | 0 | None | - | 1 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 1813 | 27 | 15 | 26 | 4.1 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)(C)[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 | |||
| CHEMBL4584764 | 182601 | 0 | None | - | 1 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 1813 | 27 | 15 | 26 | 4.1 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)(C)[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 | |||
| 155560117 | 181697 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1772 | 27 | 15 | 26 | 3.8 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@@H](CO)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@@]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 | |||
| CHEMBL4564727 | 181697 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1772 | 27 | 15 | 26 | 3.8 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@@H](CO)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@@]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 | |||
| 91809292 | 132545 | 0 | None | 3 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1619 | 27 | 18 | 17 | 2.6 | 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)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3647691 | 132545 | 0 | None | 3 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1619 | 27 | 18 | 17 | 2.6 | 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)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| 91809296 | 132549 | 0 | None | 16 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1488 | 23 | 17 | 17 | 1.5 | 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](NCCS(=O)(=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 | |||
| CHEMBL3647695 | 132549 | 0 | None | 16 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1488 | 23 | 17 | 17 | 1.5 | 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](NCCS(=O)(=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 | |||
| 91809297 | 132550 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1635 | 27 | 18 | 18 | 2.2 | 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)CS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3647696 | 132550 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1635 | 27 | 18 | 18 | 2.2 | 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)CS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| 155544425 | 180161 | 0 | None | 436 | 5 | Human | 10.7 | pKi | = | 10.7 | 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 | 180161 | 0 | None | 436 | 5 | Human | 10.7 | pKi | = | 10.7 | 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 | |||
| 52936833 | 68021 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 474 | 6 | 1 | 5 | 6.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766100 | 68021 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 474 | 6 | 1 | 5 | 6.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 52936725 | 68024 | 24 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 432 | 6 | 2 | 4 | 6.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 | 10.1021/jm101501b | |||
| CHEMBL1766103 | 68024 | 24 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 432 | 6 | 2 | 4 | 6.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 | 10.1021/jm101501b | |||
| CHEMBL4299281 | 220337 | 0 | None | 44 | 2 | Human | 10.5 | pKi | = | 10.5 | 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](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 | |||||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 10.5 | pKi | = | 10.5 | 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 | 215810 | 40 | None | 4 | 5 | Human | 10.5 | pKi | = | 10.5 | 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 | |||||
| 24951598 | 68018 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 486 | 6 | 2 | 4 | 7.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766097 | 68018 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 486 | 6 | 2 | 4 | 7.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 24951597 | 68020 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 513 | 7 | 2 | 4 | 6.8 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(C(N)=O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766099 | 68020 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 513 | 7 | 2 | 4 | 6.8 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(C(N)=O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 10.4 | pKi | = | 10.4 | 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/jm020424z | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 10.4 | pKi | = | 10.4 | 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/jm020424z | |||||
| CHEMBL408362 | 219489 | 0 | None | 9 | 5 | Human | 10.4 | pKi | = | 10.4 | 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/jm980194h | |||||
| 91809272 | 132527 | 0 | None | 269 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1425 | 22 | 16 | 13 | 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](NCCC[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 | |||
| CHEMBL3647673 | 132527 | 0 | None | 269 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1425 | 22 | 16 | 13 | 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](NCCC[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 | |||
| 91809290 | 132543 | 0 | None | 5 | 4 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1636 | 27 | 18 | 16 | 3.3 | 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)C[S+]([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 | |||
| CHEMBL3647689 | 132543 | 0 | None | 5 | 4 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1636 | 27 | 18 | 16 | 3.3 | 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)C[S+]([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 | |||
| 91809293 | 132546 | 0 | None | 562 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1928 | 34 | 20 | 20 | 3.5 | 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)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)C[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 | |||
| CHEMBL3647692 | 132546 | 0 | None | 562 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1928 | 34 | 20 | 20 | 3.5 | 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)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)C[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 | |||
| 91809305 | 132558 | 0 | None | 354 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1645 | 29 | 18 | 16 | 4.3 | CC(=O)N(CCCN[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 | |||
| CHEMBL3647704 | 132558 | 0 | None | 354 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1645 | 29 | 18 | 16 | 4.3 | CC(=O)N(CCCN[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 | |||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 10.3 | pKi | = | 10.3 | 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 | 215810 | 40 | None | 4 | 5 | Human | 10.3 | pKi | = | 10.3 | 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 | |||||
| 91809291 | 132544 | 0 | None | 7 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 1473 | 23 | 16 | 14 | 2.9 | 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](NCC[S+]([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 | |||
| CHEMBL3647690 | 132544 | 0 | None | 7 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 1473 | 23 | 16 | 14 | 2.9 | 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](NCC[S+]([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 | |||
| 91809301 | 132554 | 0 | None | 19 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 1470 | 22 | 17 | 16 | 2.4 | 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(=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 | |||
| CHEMBL3647700 | 132554 | 0 | None | 19 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 1470 | 22 | 17 | 16 | 2.4 | 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(=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 | |||
| 91809287 | 167037 | 0 | None | 1 | 6 | Human | 10.3 | pKi | = | 10.3 | 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 | 167037 | 0 | None | 1 | 6 | Human | 10.3 | pKi | = | 10.3 | 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 | |||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 10.3 | pKi | = | 10.3 | 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 | 10.1016/j.bmcl.2013.11.065 | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 10.3 | pKi | = | 10.3 | 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 | 10.1016/j.bmcl.2013.11.065 | |||
| 91809288 | 132542 | 0 | None | 4 | 6 | Human | 10.2 | pKi | = | 10.2 | 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 | 132542 | 0 | None | 4 | 6 | Human | 10.2 | pKi | = | 10.2 | 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 | |||
| 155569009 | 182924 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1742 | 26 | 14 | 25 | 4.5 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCNC(=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@@]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 | |||
| CHEMBL4592483 | 182924 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1742 | 26 | 14 | 25 | 4.5 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCNC(=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@@]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 | |||
| 54586271 | 68030 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 506 | 6 | 2 | 3 | 8.1 | Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766109 | 68030 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 506 | 6 | 2 | 3 | 8.1 | Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1 | 10.1021/jm101501b | |||
| 155561297 | 182462 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1827 | 28 | 15 | 26 | 4.5 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC[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 | |||
| CHEMBL4581874 | 182462 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1827 | 28 | 15 | 26 | 4.5 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC[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 | |||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| 2054 | 10746 | 15 | None | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| 71306 | 10746 | 15 | None | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL264186 | 10746 | 15 | None | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL3349523 | 10746 | 15 | None | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| DB04894 | 10746 | 15 | None | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL3349516 | 218196 | 0 | None | 1 | 4 | Human | 10.1 | pKi | = | 10.1 | 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](C)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 | |||||
| 24952323 | 68017 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 486 | 6 | 2 | 4 | 7.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766096 | 68017 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 486 | 6 | 2 | 4 | 7.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 24956953 | 68023 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 459 | 7 | 2 | 4 | 5.7 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(C(N)=O)c4)cc3c2OCCCN)c1 | 10.1021/jm101501b | |||
| CHEMBL1766102 | 68023 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 459 | 7 | 2 | 4 | 5.7 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(C(N)=O)c4)cc3c2OCCCN)c1 | 10.1021/jm101501b | |||
| 91809283 | 132538 | 0 | None | 6 | 6 | Human | 10.1 | pKi | = | 10.1 | 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 | 132538 | 0 | None | 6 | 6 | Human | 10.1 | pKi | = | 10.1 | 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 | |||
| 91809294 | 132547 | 0 | None | 10 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1912 | 34 | 19 | 19 | 3.8 | 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)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3647693 | 132547 | 0 | None | 10 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1912 | 34 | 19 | 19 | 3.8 | 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)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| 91809300 | 132553 | 0 | None | 30 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1454 | 22 | 16 | 15 | 2.7 | 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(=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 | |||
| CHEMBL3647699 | 132553 | 0 | None | 30 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1454 | 22 | 16 | 15 | 2.7 | 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(=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 | |||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 10.1 | pKi | = | 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 | 10.1016/j.bmcl.2005.05.061 | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 10.1 | pKi | = | 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 | 10.1016/j.bmcl.2005.05.061 | |||||
| 91809299 | 132552 | 0 | None | 3715 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1440 | 23 | 16 | 15 | 3.1 | 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](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3647698 | 132552 | 0 | None | 3715 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1440 | 23 | 16 | 15 | 3.1 | 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](Cc2ccccc2)NC1=O | nan | |||
| 24952682 | 68019 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 500 | 7 | 2 | 4 | 7.2 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766098 | 68019 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 500 | 7 | 2 | 4 | 7.2 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 155556911 | 181318 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 1691 | 28 | 12 | 22 | 5.7 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCC(=O)NCCCC[C@H]1C(=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)N[C@@H](Cc3ccccc3)C(=O)N1C)[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 | |||
| CHEMBL4556000 | 181318 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 1691 | 28 | 12 | 22 | 5.7 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCC(=O)NCCCC[C@H]1C(=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)N[C@@H](Cc3ccccc3)C(=O)N1C)[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 | |||
| 24953027 | 68016 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 471 | 6 | 1 | 4 | 7.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccncc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766095 | 68016 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 471 | 6 | 1 | 4 | 7.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccncc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 24953029 | 68015 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 489 | 6 | 1 | 4 | 7.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(F)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766094 | 68015 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 489 | 6 | 1 | 4 | 7.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(F)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 155546353 | 180328 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1843 | 29 | 16 | 27 | 3.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCNC(=O)[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@@H](C)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 | |||
| CHEMBL4532058 | 180328 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1843 | 29 | 16 | 27 | 3.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCNC(=O)[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@@H](C)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 | |||
| 155550944 | 181047 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1828 | 31 | 15 | 26 | 4.5 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC1=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 | |||
| CHEMBL4549303 | 181047 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1828 | 31 | 15 | 26 | 4.5 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC1=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 | |||
| 91809275 | 132530 | 0 | None | 7 | 6 | Human | 9.9 | pKi | = | 9.9 | 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 | 132530 | 0 | None | 7 | 6 | Human | 9.9 | pKi | = | 9.9 | 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 | |||
| CHEMBL3349521 | 218200 | 0 | None | 1 | 4 | Human | 9.9 | pKi | = | 9.9 | 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](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| 52936625 | 68010 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 471 | 6 | 1 | 4 | 7.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccnc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766089 | 68010 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 471 | 6 | 1 | 4 | 7.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccnc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 52936724 | 68014 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 505 | 6 | 1 | 4 | 7.8 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(Cl)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766093 | 68014 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 505 | 6 | 1 | 4 | 7.8 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(Cl)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 52936830 | 68025 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 476 | 7 | 2 | 6 | 5.4 | Cn1cc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cccc(CO)c4)cnc3cc2Cl)cn1 | 10.1021/jm101501b | |||
| CHEMBL1766104 | 68025 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 476 | 7 | 2 | 6 | 5.4 | Cn1cc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cccc(CO)c4)cnc3cc2Cl)cn1 | 10.1021/jm101501b | |||
| 52936831 | 68026 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 468 | 8 | 3 | 5 | 5.5 | OCc1cccc(-c2ccc3ncc(-c4cccc(CO)c4)c(OCC[C@H]4CCCCN4)c3c2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766105 | 68026 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 468 | 8 | 3 | 5 | 5.5 | OCc1cccc(-c2ccc3ncc(-c4cccc(CO)c4)c(OCC[C@H]4CCCCN4)c3c2)c1 | 10.1021/jm101501b | |||
| 91809285 | 132540 | 0 | None | 12 | 6 | Human | 9.9 | pKi | = | 9.9 | 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 | 132540 | 0 | None | 12 | 6 | Human | 9.9 | pKi | = | 9.9 | 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 | |||
| 91809307 | 132560 | 0 | None | 363 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1496 | 24 | 16 | 14 | 3.4 | CC(=O)N(CCCN[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)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | |||
| CHEMBL3647706 | 132560 | 0 | None | 363 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1496 | 24 | 16 | 14 | 3.4 | CC(=O)N(CCCN[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)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | |||
| 155554285 | 180984 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1907 | 29 | 16 | 28 | 0.9 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CC(=O)NC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](N)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)C(N)=O)C1=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 | |||
| CHEMBL4548228 | 180984 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1907 | 29 | 16 | 28 | 0.9 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CC(=O)NC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](N)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)C(N)=O)C1=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 | |||
| 155559238 | 181632 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 2551 | 54 | 20 | 35 | 3.4 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CCCCCN3C(=O)CC(SCCCN[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccccc5)NC4=O)C3=O)C1=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 | |||
| CHEMBL4563111 | 181632 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 2551 | 54 | 20 | 35 | 3.4 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CCCCCN3C(=O)CC(SCCCN[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccccc5)NC4=O)C3=O)C1=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 | |||
| 91809306 | 132559 | 0 | None | 16 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1738 | 28 | 16 | 17 | 6.7 | 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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3647705 | 132559 | 0 | None | 16 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1738 | 28 | 16 | 17 | 6.7 | 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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| 91809280 | 132535 | 0 | None | 199 | 2 | Human | 9.8 | pKi | = | 9.8 | 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](Cc2cccc(F)c2)NC1=O | nan | |||
| CHEMBL3647681 | 132535 | 0 | None | 199 | 2 | Human | 9.8 | pKi | = | 9.8 | 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](Cc2cccc(F)c2)NC1=O | nan | |||
| CHEMBL3349522 | 218201 | 0 | None | 1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)N[C@@H](C)C(=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](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| 91809295 | 132548 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1652 | 27 | 18 | 17 | 3.0 | 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)CS(=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 | |||
| CHEMBL3647694 | 132548 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1652 | 27 | 18 | 17 | 3.0 | 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)CS(=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 | |||
| 91809286 | 132541 | 0 | None | -1 | 6 | Human | 9.8 | pKi | = | 9.8 | 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 | 132541 | 0 | None | -1 | 6 | Human | 9.8 | pKi | = | 9.8 | 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 | |||
| 91809312 | 132565 | 0 | None | 588 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1754 | 28 | 17 | 18 | 6.4 | 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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[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 | |||
| CHEMBL3647711 | 132565 | 0 | None | 588 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1754 | 28 | 17 | 18 | 6.4 | 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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[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 | |||
| 54586272 | 68031 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 7.5 | Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766110 | 68031 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 7.5 | Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1 | 10.1021/jm101501b | |||
| 155561497 | 182452 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1869 | 42 | 16 | 25 | 3.8 | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCCSSC[C@H](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)C(N)=O)C(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| CHEMBL4581646 | 182452 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1869 | 42 | 16 | 25 | 3.8 | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCCSSC[C@H](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)C(N)=O)C(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| 155548259 | 180546 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1940 | 32 | 15 | 25 | 7.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=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 | |||
| CHEMBL4537192 | 180546 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1940 | 32 | 15 | 25 | 7.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=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 | |||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 9.7 | pKi | = | 9.7 | 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/jm021093t | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 9.7 | pKi | = | 9.7 | 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/jm021093t | |||||
| CHEMBL3349600 | 218208 | 0 | None | 999 | 2 | Human | 9.7 | pKi | = | 9.7 | 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]2C[C@@H](O)CN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm021093t | |||||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 9.7 | pKi | = | 9.7 | 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/jm980118e | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 9.7 | pKi | = | 9.7 | 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/jm980118e | |||||
| 91809284 | 132539 | 0 | None | 7 | 6 | Human | 9.7 | pKi | = | 9.7 | 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 | 132539 | 0 | None | 7 | 6 | Human | 9.7 | pKi | = | 9.7 | 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 | |||
| 16129706 | 215810 | 40 | None | 4 | 5 | Human | 9.6 | pKi | = | 9.6 | 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/jm050376t | |||||
| CHEMBL1823872 | 215810 | 40 | None | 4 | 5 | Human | 9.6 | pKi | = | 9.6 | 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/jm050376t | |||||
| 91809310 | 132563 | 0 | None | 3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1618 | 27 | 19 | 17 | 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](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(O)cc2)NC1=O | nan | |||
| CHEMBL3647709 | 132563 | 0 | None | 3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1618 | 27 | 19 | 17 | 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](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(O)cc2)NC1=O | nan | |||
| CHEMBL1794035 | 215716 | 0 | None | 4 | 5 | Human | 9.6 | pKi | = | 9.6 | 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/jm0005048 | |||||
| 91809279 | 132534 | 0 | None | 102 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1475 | 23 | 16 | 14 | 4.0 | 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](Cc2cc(F)cc(F)c2)NC1=O | nan | |||
| CHEMBL3647680 | 132534 | 0 | None | 102 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1475 | 23 | 16 | 14 | 4.0 | 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](Cc2cc(F)cc(F)c2)NC1=O | nan | |||
| 91809321 | 133157 | 0 | None | 77 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1503 | 24 | 16 | 15 | 2.9 | 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](NCCCS(=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 | |||
| CHEMBL3650457 | 133157 | 0 | None | 77 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1503 | 24 | 16 | 15 | 2.9 | 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](NCCCS(=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 | |||
| 155565146 | 182266 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1912 | 46 | 16 | 25 | 5.0 | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)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](Cc2ccccc2)NC1=O)C(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| CHEMBL4577466 | 182266 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1912 | 46 | 16 | 25 | 5.0 | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)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](Cc2ccccc2)NC1=O)C(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| 52936721 | 68011 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 487 | 6 | 2 | 4 | 6.4 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(=O)[nH]c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766090 | 68011 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 487 | 6 | 2 | 4 | 6.4 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(=O)[nH]c4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 91809308 | 132561 | 0 | None | 4 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| CHEMBL3647707 | 132561 | 0 | None | 4 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980118e | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980118e | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980118e | |||||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 9.5 | pKi | = | 9.5 | 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/jm980118e | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 9.5 | pKi | = | 9.5 | 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/jm980118e | |||
| 91809277 | 132532 | 0 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | 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 | 132532 | 0 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | 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 | |||
| CHEMBL442494 | 220692 | 0 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | 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/jm0005048 | |||||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 9.5 | pKi | = | 9.5 | 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/jm021093t | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 9.5 | pKi | = | 9.5 | 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/jm021093t | |||
| 91809303 | 132556 | 0 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | 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 | 132556 | 0 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | 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 | |||
| 91809276 | 132531 | 0 | None | 4 | 6 | Human | 9.5 | pKi | = | 9.5 | 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 | 132531 | 0 | None | 4 | 6 | Human | 9.5 | pKi | = | 9.5 | 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 | |||
| 91809278 | 132533 | 0 | None | 48 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1475 | 23 | 16 | 14 | 4.0 | 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)c(F)c2)NC1=O | nan | |||
| CHEMBL3647679 | 132533 | 0 | None | 48 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1475 | 23 | 16 | 14 | 4.0 | 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)c(F)c2)NC1=O | nan | |||
| 91809298 | 132551 | 0 | None | 575 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1496 | 24 | 16 | 14 | 3.4 | CC(=O)N(CCCNC[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)[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 | nan | |||
| CHEMBL3647697 | 132551 | 0 | None | 575 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1496 | 24 | 16 | 14 | 3.4 | CC(=O)N(CCCNC[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)[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 | nan | |||
| 91809317 | 133153 | 0 | None | 22 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| CHEMBL3650453 | 133153 | 0 | None | 22 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| 2055 | 9682 | 48 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | |||||
| 383414 | 9682 | 48 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | |||||
| 90488715 | 9682 | 48 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | |||||
| CHEMBL1680 | 9682 | 48 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | |||||
| CHEMBL262746 | 9682 | 48 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | |||||
| DB00104 | 9682 | 48 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1039/C8MD00388B | |||||
| 91809308 | 132561 | 0 | None | 4 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| CHEMBL3647707 | 132561 | 0 | None | 4 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| CHEMBL3098601 | 217797 | 0 | None | -2 | 5 | Human | 9.4 | pKi | = | 9.4 | 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 | |||||
| 9851998 | 31357 | 0 | None | 831 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 617 | 12 | 4 | 6 | 4.3 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL134280 | 31357 | 0 | None | 831 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 617 | 12 | 4 | 6 | 4.3 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 2048 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980194h | |||||
| 70692642 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980194h | |||||
| CHEMBL2052017 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm980194h | |||||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/s0960-894x(98)00187-5 | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/s0960-894x(98)00187-5 | |||
| CHEMBL1201185 | 215380 | 28 | None | 7 | 4 | Human | 9.3 | pKi | = | 9.3 | 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/jm021093t | |||||
| CHEMBL3349513 | 218193 | 0 | None | 1 | 4 | Human | 9.3 | pKi | = | 9.3 | 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](C)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349606 | 218214 | 0 | None | -5 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CN(C)CCNC(=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 | |||||
| 91809309 | 132562 | 0 | None | 52 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| CHEMBL3647708 | 132562 | 0 | None | 52 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| 91809288 | 132542 | 0 | None | 4 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | 132542 | 0 | None | 4 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | |||
| 91809281 | 132536 | 0 | None | 58 | 2 | Human | 9.3 | pKi | = | 9.3 | 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](Cc2ccccc2F)NC1=O | nan | |||
| CHEMBL3647682 | 132536 | 0 | None | 58 | 2 | Human | 9.3 | pKi | = | 9.3 | 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](Cc2ccccc2F)NC1=O | nan | |||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 9.2 | pKi | = | 9.2 | 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/jm050376t | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 9.2 | pKi | = | 9.2 | 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/jm050376t | |||
| 91809320 | 133156 | 0 | None | 50 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1897 | 34 | 19 | 18 | 6.5 | 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](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(F)cc2)NC1=O | nan | |||
| CHEMBL3650456 | 133156 | 0 | None | 50 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1897 | 34 | 19 | 18 | 6.5 | 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](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(F)cc2)NC1=O | nan | |||
| 52936722 | 68012 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 486 | 6 | 2 | 5 | 6.7 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(N)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766091 | 68012 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 486 | 6 | 2 | 5 | 6.7 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(N)nc4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL421362 | 220053 | 0 | None | 14 | 5 | Human | 9.2 | pKi | = | 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]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm021093t | |||||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 9.2 | pKi | = | 9.2 | 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 | 122160 | 0 | None | 29 | 5 | Human | 9.2 | pKi | = | 9.2 | 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 | |||
| 52936723 | 68013 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 501 | 7 | 1 | 5 | 7.2 | COc1ccc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)cn1 | 10.1021/jm101501b | |||
| CHEMBL1766092 | 68013 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 501 | 7 | 1 | 5 | 7.2 | COc1ccc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)cn1 | 10.1021/jm101501b | |||
| 155541853 | 179822 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | 179822 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | |||
| 91809318 | 133154 | 0 | None | 416 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1695 | 29 | 18 | 17 | 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](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CCN(C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)S(C)(=O)=O)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | |||
| CHEMBL3650454 | 133154 | 0 | None | 416 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1695 | 29 | 18 | 17 | 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](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CCN(C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)S(C)(=O)=O)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | |||
| 91809274 | 132529 | 0 | None | 63 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1453 | 24 | 16 | 13 | 4.7 | 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](CCCNC(=N)N)NC(=O)[C@H](NCCCCC[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 | |||
| CHEMBL3647675 | 132529 | 0 | None | 63 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1453 | 24 | 16 | 13 | 4.7 | 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](CCCNC(=N)N)NC(=O)[C@H](NCCCCC[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 | |||
| 91809304 | 132557 | 0 | None | 52 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1538 | 24 | 15 | 14 | 3.6 | CC(=O)N(CCCN(C(C)=O)[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)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | |||
| CHEMBL3647703 | 132557 | 0 | None | 52 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1538 | 24 | 15 | 14 | 3.6 | CC(=O)N(CCCN(C(C)=O)[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)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | |||
| 91809314 | 132567 | 0 | None | 234 | 2 | Human | 9.1 | pKi | = | 9.1 | 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](Cc2cccnc2)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 | |||
| CHEMBL3647713 | 132567 | 0 | None | 234 | 2 | Human | 9.1 | pKi | = | 9.1 | 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](Cc2cccnc2)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 | |||
| 155547005 | 180431 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 2030 | 37 | 15 | 32 | 6.3 | CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)OCCSSCCCN[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccccc5)NC4=O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| CHEMBL4534477 | 180431 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 2030 | 37 | 15 | 32 | 6.3 | CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)OCCSSCCCN[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccccc5)NC4=O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| 91809273 | 132528 | 0 | None | 8 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1439 | 23 | 16 | 13 | 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](NCCCC[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 | |||
| CHEMBL3647674 | 132528 | 0 | None | 8 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1439 | 23 | 16 | 13 | 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](NCCCC[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 | |||
| CHEMBL3349599 | 218207 | 0 | None | -2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349601 | 218209 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)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 | |||||
| CHEMBL3349605 | 218213 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)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 | |||||
| 155563809 | 182179 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1987 | 33 | 15 | 32 | 5.1 | CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)OCCSSC[C@H](NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](N)Cc5ccccc5)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4)C(N)=O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| CHEMBL4575530 | 182179 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1987 | 33 | 15 | 32 | 5.1 | CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)OCCSSC[C@H](NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](N)Cc5ccccc5)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4)C(N)=O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C | 10.1021/acs.jmedchem.8b02036 | |||
| 2018 | 9781 | 28 | None | -7 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| 9941444 | 9781 | 28 | None | -7 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL3349607 | 9781 | 28 | None | -7 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| DB06663 | 9781 | 28 | None | -7 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL3349524 | 218202 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | 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)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 | |||||
| 44364081 | 127667 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 563 | 14 | 5 | 5 | 4.5 | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)NCCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL355923 | 127667 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 563 | 14 | 5 | 5 | 4.5 | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)NCCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL1791304 | 215700 | 0 | None | 25 | 2 | Human | 9.0 | pKi | = | 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](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | |||||
| CHEMBL1791312 | 215704 | 0 | None | 123 | 2 | Human | 9.0 | pKi | = | 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 | |||||
| 91809309 | 132562 | 0 | None | 52 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| CHEMBL3647708 | 132562 | 0 | None | 52 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | 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](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 | |||
| 44364008 | 47294 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 595 | 11 | 3 | 5 | 4.4 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL148309 | 47294 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 595 | 11 | 3 | 5 | 4.4 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL410194 | 219586 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | 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](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1016/s0960-894x(98)00187-5 | |||||
| CHEMBL3349517 | 218197 | 0 | None | -3 | 4 | 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(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)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 | |||||
| 44363919 | 125946 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 629 | 12 | 3 | 5 | 5.6 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL343010 | 125946 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 629 | 12 | 3 | 5 | 5.6 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 91809319 | 133155 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1453 | 22 | 16 | 14 | 3.3 | C[C@@H](O)C1NC(=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(=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 | |||
| CHEMBL3650455 | 133155 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1453 | 22 | 16 | 14 | 3.3 | C[C@@H](O)C1NC(=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(=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 | |||
| 91809313 | 132566 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1616 | 26 | 18 | 16 | 3.7 | 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](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[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 | |||
| CHEMBL3647712 | 132566 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1616 | 26 | 18 | 16 | 3.7 | 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](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[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 | |||
| 44364016 | 126072 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 630 | 12 | 3 | 6 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(C2CCCN(c3ccccc3)C2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL343897 | 126072 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 630 | 12 | 3 | 6 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(C2CCCN(c3ccccc3)C2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 24951595 | 68022 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 474 | 6 | 1 | 5 | 6.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766101 | 68022 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 474 | 6 | 1 | 5 | 6.5 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| 54580404 | 68028 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 6 | 2 | 3 | 7.2 | Cc1cc(C)cc(-c2c(OCC[C@H]3CCCCN3)c3cc(-c4ccc(F)cc4)c(Cl)cc3[nH]c2=O)c1 | 10.1021/jm101501b | |||
| CHEMBL1766107 | 68028 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 6 | 2 | 3 | 7.2 | Cc1cc(C)cc(-c2c(OCC[C@H]3CCCCN3)c3cc(-c4ccc(F)cc4)c(Cl)cc3[nH]c2=O)c1 | 10.1021/jm101501b | |||
| CHEMBL262017 | 217305 | 0 | None | 7 | 2 | Human | 8.8 | pKi | = | 8.8 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@H](C(=O)N[C@H](C=O)[C@@H](C)O)NC1=O | 10.1021/jm050376t | |||||
| 44397706 | 73965 | 0 | None | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL187768 | 73965 | 0 | None | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL3349602 | 218210 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | |||||
| 44355051 | 103340 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 617 | 12 | 4 | 6 | 4.3 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL263024 | 103340 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 617 | 12 | 4 | 6 | 4.3 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44354261 | 123582 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 675 | 13 | 4 | 8 | 3.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL337846 | 123582 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 675 | 13 | 4 | 8 | 3.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44354528 | 178138 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 633 | 14 | 4 | 7 | 4.6 | COc1cccc(CN2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)c1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL446165 | 178138 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 633 | 14 | 4 | 7 | 4.6 | COc1cccc(CN2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)c1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL3349604 | 218212 | 0 | None | -25 | 5 | Human | 8.0 | pKi | = | 8 | 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 | |||||
| 44363920 | 44782 | 0 | None | - | 1 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 10 | 3 | 6 | 4.0 | COC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)OC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL146022 | 44782 | 0 | None | - | 1 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 10 | 3 | 6 | 4.0 | COC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)OC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00016-5 | |||
| 15485372 | 44913 | 0 | None | - | 1 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | 501 | 9 | 4 | 3 | 4.0 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL146128 | 44913 | 0 | None | - | 1 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | 501 | 9 | 4 | 3 | 4.0 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00016-5 | |||
| 44397628 | 74162 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 441 | 9 | 2 | 5 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL188767 | 74162 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 441 | 9 | 2 | 5 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL2369753 | 216450 | 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 | |||||
| CHEMBL2369759 | 216456 | 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 | |||||
| CHEMBL3349515 | 218195 | 0 | None | -12 | 4 | Human | 6.0 | pKi | = | 6 | 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](C)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 | |||||
| CHEMBL3349525 | 218203 | 0 | None | -10 | 4 | Human | 6.0 | pKi | = | 6 | 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](C)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 | |||||
| 9959684 | 40721 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6 | 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 | 40721 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6 | 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 | |||
| 10601454 | 42083 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 499 | 11 | 3 | 4 | 5.0 | NCCCC/N=C(\S)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| CHEMBL143668 | 42083 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 499 | 11 | 3 | 4 | 5.0 | NCCCC/N=C(\S)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| 10838621 | 210876 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL70224 | 210876 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL411556 | 219665 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | 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)Cc2cccc(F)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(F)c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL412561 | 219783 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | 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)Cc2ccc(F)cc2)CSSC[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44355050 | 103339 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 661 | 14 | 4 | 8 | 4.4 | COC(=O)c1cccc(CN2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)c1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL263023 | 103339 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 661 | 14 | 4 | 8 | 4.4 | COC(=O)c1cccc(CN2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)c1 | 10.1016/s0960-894x(00)00687-9 | |||
| 44354613 | 121894 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 632 | 12 | 5 | 6 | 4.7 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL334340 | 121894 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 632 | 12 | 5 | 6 | 4.7 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44354650 | 123322 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 671 | 13 | 4 | 7 | 4.0 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL336286 | 123322 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 671 | 13 | 4 | 7 | 4.0 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44364114 | 127816 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 10 | 2 | 5 | 3.2 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N(C)C[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL356717 | 127816 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 10 | 2 | 5 | 3.2 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N(C)C[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL2371893 | 216926 | 0 | None | 3 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | |||||
| 168275406 | 197086 | 0 | None | -1000 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | 197086 | 0 | None | -1000 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| 44308810 | 210851 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 543 | 10 | 5 | 4 | 3.5 | NCCCCC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1)C(=O)O | 10.1021/jm980194h | |||
| CHEMBL70096 | 210851 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 543 | 10 | 5 | 4 | 3.5 | NCCCCC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1)C(=O)O | 10.1021/jm980194h | |||
| CHEMBL2369761 | 216458 | 0 | None | 5 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | |||||
| CHEMBL406152 | 219375 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | 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(F)c2)CSSC[C@H](C(=O)N[C@@H](Cc2cccc(F)c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44354529 | 32107 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 681 | 13 | 4 | 8 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL134923 | 32107 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 681 | 13 | 4 | 8 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44364017 | 125995 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 603 | 14 | 3 | 5 | 5.4 | CC(CCc1ccccc1)N1CCN([C@@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL343347 | 125995 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 603 | 14 | 3 | 5 | 5.4 | CC(CCc1ccccc1)N1CCN([C@@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 44397620 | 74649 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 9 | 2 | 6 | 5.0 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL191025 | 74649 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 9 | 2 | 6 | 5.0 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| 44397472 | 131832 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2cc(F)ccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL364418 | 131832 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2cc(F)ccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL2372961 | 217106 | 0 | None | 8 | 4 | Human | 7.9 | pKi | = | 7.9 | 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 | |||||
| CHEMBL408347 | 219486 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | 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](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 | |||||
| CHEMBL2369749 | 216446 | 0 | None | 3 | 5 | Human | 7.9 | pKi | = | 7.9 | 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](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 | |||||
| 44354386 | 29381 | 0 | None | 30 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 619 | 13 | 4 | 7 | 3.2 | CC(C)S(=O)(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL132658 | 29381 | 0 | None | 30 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 619 | 13 | 4 | 7 | 3.2 | CC(C)S(=O)(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00687-9 | |||
| 10720221 | 41863 | 0 | None | -1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 500 | 12 | 2 | 5 | 4.4 | S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| CHEMBL143367 | 41863 | 0 | None | -1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 500 | 12 | 2 | 5 | 4.4 | S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| 44364006 | 125360 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 555 | 9 | 3 | 5 | 3.6 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL341645 | 125360 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 555 | 9 | 3 | 5 | 3.6 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL2372964 | 217109 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||||
| 44354615 | 31140 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 659 | 13 | 4 | 8 | 3.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL134111 | 31140 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 659 | 13 | 4 | 8 | 3.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44363998 | 47235 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 12 | 3 | 5 | 4.5 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(Cc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL148255 | 47235 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 12 | 3 | 5 | 4.5 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(Cc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 10053855 | 175333 | 0 | None | 263 | 2 | Human | 7.9 | pKi | = | 7.9 | 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 | 175333 | 0 | None | 263 | 2 | Human | 7.9 | pKi | = | 7.9 | 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 | |||
| CHEMBL385746 | 219143 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | 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](Cc2ccccn2)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 | |||||
| 54582417 | 68027 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 488 | 6 | 2 | 5 | 5.8 | Cc1cc(C)cc(-c2c(OCCC3CCCCN3)c3cc(-c4ccncn4)c(Cl)cc3[nH]c2=O)c1 | 10.1021/jm101501b | |||
| CHEMBL1766106 | 68027 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 488 | 6 | 2 | 5 | 5.8 | Cc1cc(C)cc(-c2c(OCCC3CCCCN3)c3cc(-c4ccncn4)c(Cl)cc3[nH]c2=O)c1 | 10.1021/jm101501b | |||
| 44354398 | 122280 | 0 | None | 190 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 583 | 12 | 4 | 6 | 3.6 | CC(C)C(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL335223 | 122280 | 0 | None | 190 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 583 | 12 | 4 | 6 | 3.6 | CC(C)C(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00687-9 | |||
| 44397990 | 74789 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 441 | 9 | 2 | 5 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc2ccccc12 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL191255 | 74789 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 441 | 9 | 2 | 5 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc2ccccc12 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL408787 | 219511 | 0 | None | 28 | 3 | Human | 7.8 | pKi | = | 7.8 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)C(c2ccccc2)c2ccccc2)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL437448 | 220498 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | 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(Br)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(Br)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44397907 | 74739 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 447 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cc2ccccc2s1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL191171 | 74739 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 447 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cc2ccccc2s1 | 10.1016/j.bmcl.2005.05.061 | |||
| 10769191 | 40566 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 557 | 11 | 2 | 4 | 5.5 | S=C(NCCCN1CCCC1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| CHEMBL142283 | 40566 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 557 | 11 | 2 | 4 | 5.5 | S=C(NCCCN1CCCC1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| CHEMBL408987 | 219519 | 0 | None | 1 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | |||||
| CHEMBL429166 | 220288 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)(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)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 142471801 | 199078 | 0 | None | -933 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | 199078 | 0 | None | -933 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
| 44354527 | 32310 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 13 | 4 | 6 | 5.8 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL135099 | 32310 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 13 | 4 | 6 | 5.8 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL2369755 | 216452 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | |||||
| 10841338 | 40881 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | 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 | 40881 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
| 10578474 | 40961 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 5.1 | S=C(NCCCN1CCCC1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| CHEMBL142613 | 40961 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 5.1 | S=C(NCCCN1CCCC1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| 168272497 | 197012 | 0 | None | -3467 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 8 | 2 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5174969 | 197012 | 0 | None | -3467 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 8 | 2 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| 44308969 | 211143 | 0 | None | -1096 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | 211143 | 0 | None | -1096 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
| CHEMBL406491 | 219390 | 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](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2F)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2F)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44354651 | 175383 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 513 | 11 | 5 | 6 | 2.7 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCNC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL435981 | 175383 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 513 | 11 | 5 | 6 | 2.7 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCNC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44363956 | 46860 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 10 | 3 | 5 | 2.8 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL147939 | 46860 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 10 | 3 | 5 | 2.8 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 44363956 | 46860 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 10 | 3 | 5 | 2.8 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O | 10.1021/acs.jmedchem.1c00790 | |||
| CHEMBL147939 | 46860 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 10 | 3 | 5 | 2.8 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O | 10.1021/acs.jmedchem.1c00790 | |||
| 9852911 | 106159 | 0 | None | -19 | 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/jm9800346 | |||
| CHEMBL282618 | 106159 | 0 | None | -19 | 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/jm9800346 | |||
| CHEMBL2369756 | 216453 | 0 | None | 2 | 5 | Human | 6.7 | pKi | = | 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](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 | |||||
| CHEMBL2372957 | 217102 | 0 | None | 3 | 4 | Human | 7.7 | pKi | = | 7.7 | 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 | |||||
| CHEMBL3349514 | 218194 | 0 | None | 5 | 4 | Human | 7.7 | pKi | = | 7.7 | 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/jm021093t | |||||
| CHEMBL3349520 | 218199 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | 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](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL413709 | 219862 | 0 | None | 2 | 3 | Human | 6.7 | pKi | = | 6.7 | 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)c(I)c2)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 | |||||
| CHEMBL2369733 | 216440 | 0 | None | 5 | 5 | Human | 6.7 | pKi | = | 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](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 | |||||
| 44363921 | 46324 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 559 | 10 | 4 | 5 | 3.6 | COC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL147319 | 46324 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 559 | 10 | 4 | 5 | 3.6 | COC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00016-5 | |||
| 11705763 | 175094 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | 175094 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| 13690207 | 122160 | 0 | None | 29 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2008.07.027 | |||
| CHEMBL3350037 | 122160 | 0 | None | 29 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2008.07.027 | |||
| 10053855 | 175333 | 0 | None | 263 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | 175333 | 0 | None | 263 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | |||
| 44364080 | 46607 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 577 | 14 | 4 | 5 | 4.9 | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N(C)CCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL147711 | 46607 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 577 | 14 | 4 | 5 | 4.9 | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N(C)CCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(99)00016-5 | |||
| 91809302 | 132555 | 0 | None | 26 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1439 | 23 | 16 | 14 | 3.7 | 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](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](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3647701 | 132555 | 0 | None | 26 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1439 | 23 | 16 | 14 | 3.7 | 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](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](Cc2ccccc2)NC1=O | nan | |||
| 44354297 | 123424 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 667 | 13 | 4 | 6 | 4.5 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)Cc2cc(F)cc(F)c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL336986 | 123424 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 667 | 13 | 4 | 6 | 4.5 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)Cc2cc(F)cc(F)c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL2370167 | 216585 | 0 | None | 45 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | |||||
| 44354415 | 123398 | 0 | None | 131 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 603 | 13 | 4 | 6 | 4.6 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL336819 | 123398 | 0 | None | 131 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 603 | 13 | 4 | 6 | 4.6 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44397389 | 130822 | 0 | None | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL363092 | 130822 | 0 | None | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| 44354586 | 31207 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 723 | 14 | 5 | 7 | 4.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)C(O)(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL134163 | 31207 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 723 | 14 | 5 | 7 | 4.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)C(O)(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44354505 | 122208 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 639 | 13 | 4 | 6 | 4.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL335045 | 122208 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 639 | 13 | 4 | 6 | 4.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44309052 | 210726 | 0 | None | 109 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | 210726 | 0 | None | 109 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | |||
| 54584354 | 68029 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 515 | 7 | 2 | 6 | 6.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL1766108 | 68029 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 515 | 7 | 2 | 6 | 6.1 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@H]2CCCCN2)c1 | 10.1021/jm101501b | |||
| CHEMBL2369719 | 216436 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | 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 | |||||
| CHEMBL2369720 | 216437 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | 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](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | |||||
| CHEMBL407195 | 219425 | 0 | None | 6 | 4 | Human | 7.7 | pKi | = | 7.7 | 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(F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 10768264 | 41627 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | 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 | 41627 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
| 11800917 | 41887 | 0 | None | -20 | 2 | Human | 5.7 | pKi | = | 5.7 | 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 | 41887 | 0 | None | -20 | 2 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
| 10745635 | 126125 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 568 | 12 | 2 | 5 | 5.7 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| CHEMBL344285 | 126125 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 568 | 12 | 2 | 5 | 5.7 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| CHEMBL414116 | 219890 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | 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 | |||||
| 142471848 | 198046 | 0 | None | -2089 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5190457 | 198046 | 0 | None | -2089 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| 44354584 | 121986 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 679 | 14 | 4 | 6 | 6.3 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL334499 | 121986 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 679 | 14 | 4 | 6 | 6.3 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44377555 | 64305 | 0 | None | -3 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 5.2 | NCCCc1nc(-c2csc3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL166247 | 64305 | 0 | None | -3 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 5.2 | NCCCc1nc(-c2csc3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| 44397788 | 74164 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 430 | 9 | 3 | 5 | 5.0 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc2cc[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL188777 | 74164 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 430 | 9 | 3 | 5 | 5.0 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc2cc[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| 10650427 | 41209 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 554 | 11 | 2 | 5 | 5.3 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| CHEMBL142823 | 41209 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 554 | 11 | 2 | 5 | 5.3 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| CHEMBL264539 | 217407 | 0 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44308782 | 110041 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 513 | 10 | 4 | 3 | 4.5 | NCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL308444 | 110041 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 513 | 10 | 4 | 3 | 4.5 | NCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| 44354689 | 123245 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 597 | 13 | 4 | 6 | 4.0 | CC(C)CC(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL336108 | 123245 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 597 | 13 | 4 | 6 | 4.0 | CC(C)CC(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 | 10.1016/s0960-894x(00)00687-9 | |||
| 44354649 | 175221 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 713 | 15 | 4 | 9 | 3.8 | COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)cc1OC | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL434991 | 175221 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 713 | 15 | 4 | 9 | 3.8 | COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)cc1OC | 10.1016/s0960-894x(00)00687-9 | |||
| 44397924 | 74360 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 512 | 10 | 2 | 7 | 6.0 | Cc1cccc2c(C(=O)C(C)(C)CSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL190070 | 74360 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 512 | 10 | 2 | 7 | 6.0 | Cc1cccc2c(C(=O)C(C)(C)CSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| 10505242 | 40616 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | 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 | 40616 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 489 | 9 | 3 | 4 | 4.4 | NCCC/N=C(\S)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| CHEMBL385745 | 219142 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 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](Cc2ccccn2)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 | |||||
| CHEMBL2369757 | 216454 | 0 | None | 12 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | |||||
| CHEMBL438281 | 220542 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | 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)Cc2ccccc2F)CSSC[C@H](C(=O)N[C@@H](Cc2ccccc2F)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL437220 | 220490 | 0 | None | 3 | 4 | Human | 7.6 | pKi | = | 7.6 | 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)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44397747 | 73905 | 0 | None | -4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 2 | 5 | 5.3 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc(Br)c1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL187498 | 73905 | 0 | None | -4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 2 | 5 | 5.3 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc(Br)c1 | 10.1016/j.bmcl.2005.05.061 | |||
| 9872511 | 128797 | 0 | None | -21 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 486 | 11 | 3 | 4 | 4.1 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | |||
| CHEMBL359453 | 128797 | 0 | None | -21 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 486 | 11 | 3 | 4 | 4.1 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | |||
| CHEMBL2372959 | 217104 | 0 | None | 1 | 5 | Human | 6.6 | pKi | = | 6.6 | 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](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 | |||||
| CHEMBL510755 | 222367 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | 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/jm701618q | |||||
| CHEMBL2311098 | 216284 | 0 | None | 4 | 5 | Human | 7.6 | pKi | = | 7.6 | 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/jm9806289 | |||||
| CHEMBL2372963 | 217108 | 0 | None | 8 | 3 | Human | 7.6 | pKi | = | 7.6 | 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 | |||||
| 10770814 | 107569 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | 107569 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
| 9893924 | 11520 | 34 | None | -52 | 2 | Human | 5.6 | pKi | = | 5.6 | 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 | 11520 | 34 | None | -52 | 2 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
| 127029955 | 145664 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 5.3 | NCCCc1cc(Cl)cc2c(=O)cc(CCc3cccc4ccccc34)oc12 | 10.1016/j.ejmech.2016.02.046 | |||
| CHEMBL3780791 | 145664 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 5.3 | NCCCc1cc(Cl)cc2c(=O)cc(CCc3cccc4ccccc34)oc12 | 10.1016/j.ejmech.2016.02.046 | |||
| CHEMBL3782073 | 145664 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 5.3 | NCCCc1cc(Cl)cc2c(=O)cc(CCc3cccc4ccccc34)oc12 | 10.1016/j.ejmech.2016.02.046 | |||
| CHEMBL2369758 | 216455 | 0 | None | 5 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | |||||
| 10699714 | 106193 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | 106193 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
| 90665460 | 116037 | 0 | None | -12 | 5 | Human | 4.6 | pKi | = | 4.6 | 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 | 116037 | 0 | None | -12 | 5 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
| 44397815 | 74531 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 469 | 10 | 1 | 5 | 6.3 | CN(C)CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL190786 | 74531 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 469 | 10 | 1 | 5 | 6.3 | CN(C)CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL2370166 | 216584 | 0 | None | 7 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | |||||
| CHEMBL407643 | 219452 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | 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](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1016/s0960-894x(98)00187-5 | |||||
| CHEMBL3349603 | 218211 | 0 | None | -5 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | |||||
| 91809316 | 133152 | 0 | None | 141 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1737 | 28 | 16 | 16 | 7.3 | 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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3650452 | 133152 | 0 | None | 141 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1737 | 28 | 16 | 16 | 7.3 | 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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| 44363816 | 46449 | 0 | None | 22 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | 46449 | 0 | None | 22 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | |||
| CHEMBL5276641 | 200688 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | 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 | 10.1021/acs.jmedchem.1c00790 | |||
| 91809315 | 132568 | 0 | None | 89 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1755 | 28 | 16 | 16 | 7.5 | 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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[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 | |||
| CHEMBL3647714 | 132568 | 0 | None | 89 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1755 | 28 | 16 | 16 | 7.5 | 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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[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 | |||
| 10624774 | 210772 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL69575 | 210772 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| 10554709 | 126092 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | 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 | 126092 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
| 44354552 | 32309 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 679 | 14 | 4 | 6 | 6.2 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL135096 | 32309 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 679 | 14 | 4 | 6 | 6.2 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL407496 | 219444 | 0 | None | 5 | 5 | Human | 7.5 | pKi | = | 7.5 | 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)Cc2ccc(F)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 10554498 | 38063 | 0 | None | -4 | 2 | Human | 6.5 | pKi | = | 6.5 | 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 | 38063 | 0 | None | -4 | 2 | Human | 6.5 | pKi | = | 6.5 | 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 | |||
| 9985523 | 105937 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | 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 | 105937 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
| 90644981 | 118590 | 0 | None | -81 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | 118590 | 0 | None | -81 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | |||
| CHEMBL2369760 | 216457 | 0 | None | -13 | 5 | Human | 6.5 | pKi | = | 6.5 | 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 | |||||
| 44397385 | 74087 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 443 | 9 | 2 | 7 | 4.4 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cnc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL188402 | 74087 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 443 | 9 | 2 | 7 | 4.4 | NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cnc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL264028 | 217382 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | 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(I)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL439136 | 220606 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | |||||
| 44377591 | 62407 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 536 | 9 | 3 | 6 | 5.6 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL162140 | 62407 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 536 | 9 | 3 | 6 | 5.6 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| 142471936 | 198274 | 0 | None | -4677 | 5 | Human | 5.5 | pKi | = | 5.5 | 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 | 198274 | 0 | None | -4677 | 5 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
| 10528970 | 41206 | 0 | None | -4 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 486 | 11 | 2 | 5 | 4.0 | S=C(NCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| CHEMBL142822 | 41206 | 0 | None | -4 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 486 | 11 | 2 | 5 | 4.0 | S=C(NCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| 155566365 | 182698 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 1927 | 34 | 17 | 27 | 4.2 | 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](CCCCNC(=O)NCCCCCCN)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 | |||
| CHEMBL4587303 | 182698 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 1927 | 34 | 17 | 27 | 4.2 | 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](CCCCNC(=O)NCCCCCCN)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 | |||
| 44387399 | 175796 | 0 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1055 | 13 | 11 | 14 | 1.3 | 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](NN2Cc3ccccc3CC2C(=O)O)CSSC[C@@H](C(=O)NN2Cc3ccccc3CC2C(=O)O)NC1=O | 10.1021/jm9806289 | |||
| CHEMBL439350 | 175796 | 0 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1055 | 13 | 11 | 14 | 1.3 | 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](NN2Cc3ccccc3CC2C(=O)O)CSSC[C@@H](C(=O)NN2Cc3ccccc3CC2C(=O)O)NC1=O | 10.1021/jm9806289 | |||
| 10166743 | 130724 | 0 | None | -43 | 5 | Human | 5.5 | pKi | = | 5.5 | 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 | 130724 | 0 | None | -43 | 5 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
| 44354614 | 30583 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 619 | 13 | 4 | 7 | 3.2 | CC(C)S(=O)(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL133612 | 30583 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 619 | 13 | 4 | 7 | 3.2 | CC(C)S(=O)(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL2372960 | 217105 | 0 | None | 4 | 4 | Human | 7.5 | pKi | = | 7.5 | 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)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | |||||
| CHEMBL415201 | 219959 | 0 | None | 7 | 4 | Human | 7.5 | pKi | = | 7.5 | 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(F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL2369750 | 216447 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | |||||
| 44354852 | 162560 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 661 | 12 | 4 | 8 | 4.0 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)c2ccc3c(c2)OCO3)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL405921 | 162560 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 661 | 12 | 4 | 8 | 4.0 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)c2ccc3c(c2)OCO3)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 168272821 | 197373 | 0 | None | -4677 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/D1MD00044F | |||
| CHEMBL5180543 | 197373 | 0 | None | -4677 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/D1MD00044F | |||
| CHEMBL412859 | 219811 | 0 | None | 19 | 3 | Human | 7.4 | pKi | = | 7.4 | 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)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)C(c2ccccc2)c2ccccc2)NC1=O | 10.1021/jm9806289 | |||||
| 142471924 | 197173 | 0 | None | -4466 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 432 | 8 | 2 | 4 | 4.6 | Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | |||
| CHEMBL5177573 | 197173 | 0 | None | -4466 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 432 | 8 | 2 | 4 | 4.6 | Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | |||
| 44308836 | 109568 | 0 | None | 134 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | 109568 | 0 | None | 134 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | |||
| 44397648 | 73538 | 0 | None | 2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL185861 | 73538 | 0 | None | 2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| 91809311 | 132564 | 0 | None | 66 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1471 | 22 | 16 | 14 | 3.4 | 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(=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 | |||
| CHEMBL3647710 | 132564 | 0 | None | 66 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1471 | 22 | 16 | 14 | 3.4 | 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(=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 | |||
| 44354850 | 123447 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 603 | 13 | 4 | 6 | 4.6 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL337083 | 123447 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 603 | 13 | 4 | 6 | 4.6 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44364113 | 126160 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 11 | 2 | 5 | 4.8 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N(C)C[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL344511 | 126160 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 11 | 2 | 5 | 4.8 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N(C)C[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 44364007 | 125361 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 575 | 10 | 4 | 8 | 2.3 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCn2c(O)nc3ccccc32)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL341646 | 125361 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 575 | 10 | 4 | 8 | 2.3 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCn2c(O)nc3ccccc32)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 44363954 | 45417 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 629 | 12 | 3 | 5 | 6.1 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(C2CCC(c3ccccc3)CC2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL146536 | 45417 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 629 | 12 | 3 | 5 | 6.1 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(C2CCC(c3ccccc3)CC2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 168288485 | 198510 | 0 | None | -7943 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5197201 | 198510 | 0 | None | -7943 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL2372958 | 217103 | 0 | None | 1 | 3 | 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](CS2=CCc3ccccc32)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 | |||||
| 10436888 | 126089 | 0 | None | -295 | 2 | Human | 5.4 | pKi | = | 5.4 | 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 | 126089 | 0 | None | -295 | 2 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
| 44385504 | 67822 | 0 | None | -10 | 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 | 67822 | 0 | None | -10 | 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 | |||
| 44397875 | 133839 | 0 | None | -16 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 419 | 10 | 2 | 5 | 5.1 | CCc1ccc(-c2nnc(SCCc3c[nH]c4ccccc34)n2CCCCN)cc1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL365627 | 133839 | 0 | None | -16 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 419 | 10 | 2 | 5 | 5.1 | CCc1ccc(-c2nnc(SCCc3c[nH]c4ccccc34)n2CCCCN)cc1 | 10.1016/j.bmcl.2005.05.061 | |||
| 90665461 | 116038 | 0 | None | -25 | 5 | Human | 4.4 | pKi | = | 4.4 | 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 | 116038 | 0 | None | -25 | 5 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
| 9852911 | 106159 | 0 | None | -19 | 6 | Human | 5.3 | pKi | = | 5.3 | 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 | 106159 | 0 | None | -19 | 6 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
| 9827283 | 85363 | 0 | None | 56 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 85363 | 0 | None | 56 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 4 | 3 | 4.1 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| 10554930 | 106968 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | 106968 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
| 10325243 | 107271 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | 107271 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
| 100930865 | 41565 | 0 | None | -91 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 12 | 2 | 4 | 4.5 | C/S(=N/CCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | |||
| 44362068 | 41565 | 0 | None | -91 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 12 | 2 | 4 | 4.5 | C/S(=N/CCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | |||
| CHEMBL143100 | 41565 | 0 | None | -91 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 12 | 2 | 4 | 4.5 | C/S(=N/CCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 | 10.1021/jm980118e | |||
| 127032867 | 145648 | 0 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 338 | 10 | 2 | 3 | 4.3 | NCCCCCOc1ccccc1OCCc1c[nH]c2ccccc12 | 10.1016/j.ejmech.2016.02.046 | |||
| CHEMBL3781875 | 145648 | 0 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 338 | 10 | 2 | 3 | 4.3 | NCCCCCOc1ccccc1OCCc1c[nH]c2ccccc12 | 10.1016/j.ejmech.2016.02.046 | |||
| 44354260 | 31068 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 674 | 13 | 5 | 7 | 4.2 | CC(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)c1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL134043 | 31068 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 674 | 13 | 5 | 7 | 4.2 | CC(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)c1 | 10.1016/s0960-894x(00)00687-9 | |||
| 44363999 | 47122 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 575 | 13 | 3 | 5 | 4.6 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL148149 | 47122 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 575 | 13 | 3 | 5 | 4.6 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 2082 | 9039 | 14 | None | -7079 | 2 | Human | 5.3 | pKi | = | 5.3 | 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 | 9039 | 14 | None | -7079 | 2 | Human | 5.3 | pKi | = | 5.3 | 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 | 9039 | 14 | None | -7079 | 2 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
| 168275268 | 196937 | 0 | None | -2884 | 2 | Human | 5.3 | pKi | = | 5.3 | 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 | 196937 | 0 | None | -2884 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4cc(Cl)cc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| 44354585 | 122283 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 621 | 13 | 4 | 6 | 4.8 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL335238 | 122283 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 621 | 13 | 4 | 6 | 4.8 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44354504 | 123464 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 707 | 14 | 4 | 6 | 5.8 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL337179 | 123464 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 707 | 14 | 4 | 6 | 5.8 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL421362 | 220053 | 0 | None | 14 | 5 | Human | 8.3 | pKi | = | 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)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | |||||
| CHEMBL2369735 | 216442 | 0 | None | 16 | 5 | Human | 8.3 | pKi | = | 8.3 | 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 | |||||
| 91809282 | 132537 | 0 | None | 7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1529 | 23 | 16 | 14 | 4.4 | 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](Cc2c(F)c(F)c(F)c(F)c2F)NC1=O | nan | |||
| CHEMBL3647683 | 132537 | 0 | None | 7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1529 | 23 | 16 | 14 | 4.4 | 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](Cc2c(F)c(F)c(F)c(F)c2F)NC1=O | nan | |||
| CHEMBL2311098 | 216284 | 0 | None | 4 | 5 | Human | 8.3 | pKi | = | 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)[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 | |||||
| CHEMBL446077 | 220722 | 0 | None | 9 | 3 | Human | 8.3 | pKi | = | 8.3 | 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 | |||||
| 44397835 | 74293 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL189554 | 74293 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| 44354298 | 123511 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 639 | 13 | 4 | 6 | 4.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL337445 | 123511 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 639 | 13 | 4 | 6 | 4.9 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44364027 | 46237 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 603 | 14 | 3 | 5 | 5.5 | CC(CCN1CCN([C@@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1=O)c1ccccc1 | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL147214 | 46237 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 603 | 14 | 3 | 5 | 5.5 | CC(CCN1CCN([C@@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1=O)c1ccccc1 | 10.1016/s0960-894x(99)00016-5 | |||
| 10625454 | 126142 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | 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 | 126142 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
| CHEMBL439005 | 220596 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 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](Cc2ccccc2)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 | |||||
| CHEMBL2369752 | 216449 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 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)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 | |||||
| 168279055 | 198019 | 0 | None | -4265 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5190056 | 198019 | 0 | None | -4265 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.6 | Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| 168296886 | 199286 | 0 | None | -5754 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | |||
| CHEMBL5209180 | 199286 | 0 | None | -5754 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | |||
| 10602592 | 85362 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 542 | 10 | 5 | 4 | 2.9 | NCCCCC(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1)C(N)=O | 10.1021/jm980194h | |||
| CHEMBL2112222 | 85362 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 542 | 10 | 5 | 4 | 2.9 | NCCCCC(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1)C(N)=O | 10.1021/jm980194h | |||
| 142471716 | 198271 | 0 | None | -1023 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | |||
| CHEMBL5193686 | 198271 | 0 | None | -1023 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | |||
| CHEMBL410181 | 219584 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | 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 | |||||
| 142471841 | 198364 | 0 | None | -1949 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5195145 | 198364 | 0 | None | -1949 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | |||
| 90665463 | 116039 | 0 | None | -20 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | 116039 | 0 | None | -20 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
| CHEMBL2372956 | 217101 | 0 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | |||||
| 168279197 | 197711 | 0 | None | -9332 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5185547 | 197711 | 0 | None | -9332 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| 10531093 | 175043 | 0 | None | -10 | 2 | Human | 6.3 | pKi | = | 6.3 | 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 | 175043 | 0 | None | -10 | 2 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
| 168283525 | 197866 | 0 | None | -851 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 8 | 2 | 5 | 4.3 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5187631 | 197866 | 0 | None | -851 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 8 | 2 | 5 | 4.3 | N#Cc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| 44385757 | 68110 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 6 | 4 | 2 | 6.8 | CC(C)(C)c1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL176730 | 68110 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 6 | 4 | 2 | 6.8 | CC(C)(C)c1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| 44363954 | 45417 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 629 | 12 | 3 | 5 | 6.1 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(C2CCC(c3ccccc3)CC2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL146536 | 45417 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 629 | 12 | 3 | 5 | 6.1 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(C2CCC(c3ccccc3)CC2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL1791307 | 215703 | 0 | None | - | 1 | 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(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)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)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 | |||||
| CHEMBL3349518 | 218198 | 0 | None | -10 | 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(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)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)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 | |||||
| CHEMBL2370168 | 216586 | 0 | None | 18 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | |||||
| 10580397 | 106091 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | 106091 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
| 71461645 | 85679 | 0 | None | -7 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 4.4 | NCCCc1nc(-c2c[nH]c3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL2112935 | 85679 | 0 | None | -7 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 4.4 | NCCCc1nc(-c2c[nH]c3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| 44386389 | 136861 | 0 | None | -12 | 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 | 136861 | 0 | None | -12 | 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 | |||
| 44397725 | 131132 | 0 | None | -8 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 455 | 10 | 2 | 5 | 6.0 | NCCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL363712 | 131132 | 0 | None | -8 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 455 | 10 | 2 | 5 | 6.0 | NCCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.05.061 | |||
| 9848232 | 108930 | 0 | None | 6 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL302567 | 108930 | 0 | None | 6 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| 10094509 | 137464 | 0 | None | -169 | 5 | Human | 5.2 | pKi | = | 5.2 | 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 | 137464 | 0 | None | -169 | 5 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
| 9893924 | 11520 | 34 | None | -52 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | 11520 | 34 | None | -52 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | 11520 | 34 | None | -52 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | 11520 | 34 | None | -52 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
| 168271257 | 197293 | 0 | None | -8912 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | |||
| CHEMBL5179456 | 197293 | 0 | None | -8912 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | |||
| CHEMBL413171 | 219830 | 0 | None | -5 | 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](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 | |||||
| CHEMBL414598 | 219925 | 0 | None | -9 | 4 | 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](Cc2c[nH]cn2)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 | |||||
| 142471832 | 197054 | 0 | None | -912 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | 197054 | 0 | None | -912 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| 44397834 | 172903 | 0 | None | -9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 8 | 2 | 5 | 5.3 | NCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL426072 | 172903 | 0 | None | -9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 8 | 2 | 5 | 5.3 | NCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.05.061 | |||
| 127032865 | 145539 | 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 | 145539 | 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 | |||
| CHEMBL385689 | 219138 | 0 | None | 2 | 4 | Human | 7.2 | pKi | = | 7.2 | 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](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL438726 | 220568 | 0 | None | -20 | 4 | 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](Cc2ccccn2)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 | |||||
| 142471828 | 198851 | 0 | None | -134 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1cc(Cl)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5202717 | 198851 | 0 | None | -134 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1cc(Cl)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL1791304 | 215700 | 0 | None | 25 | 2 | 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](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm058184l | |||||
| 44354587 | 123329 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 638 | 12 | 5 | 6 | 4.5 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL336308 | 123329 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 638 | 12 | 5 | 6 | 4.5 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44364115 | 46092 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 559 | 8 | 3 | 5 | 3.7 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL147092 | 46092 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 559 | 8 | 3 | 5 | 3.7 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 142471655 | 197204 | 0 | None | -2290 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5178013 | 197204 | 0 | None | -2290 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | |||
| 10816544 | 40584 | 0 | None | -43 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 551 | 10 | 2 | 4 | 5.6 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1ccccn1 | 10.1021/jm980118e | |||
| CHEMBL142295 | 40584 | 0 | None | -43 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 551 | 10 | 2 | 4 | 5.6 | S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1ccccn1 | 10.1021/jm980118e | |||
| CHEMBL406738 | 219397 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | |||||
| 142471891 | 197374 | 0 | None | -5495 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | |||
| CHEMBL5180551 | 197374 | 0 | None | -5495 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | |||
| 10650940 | 128762 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | 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 | 128762 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
| 10369961 | 41413 | 0 | None | -48 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 536 | 11 | 3 | 4 | 5.2 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| CHEMBL142986 | 41413 | 0 | None | -48 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 536 | 11 | 3 | 4 | 5.2 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| 10248767 | 63966 | 0 | None | -18 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 373 | 6 | 1 | 6 | 3.9 | NCCCc1nc(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL164964 | 63966 | 0 | None | -18 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 373 | 6 | 1 | 6 | 3.9 | NCCCc1nc(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| 44364008 | 47294 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 595 | 11 | 3 | 5 | 4.4 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL148309 | 47294 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 595 | 11 | 3 | 5 | 4.4 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 44364008 | 47294 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 595 | 11 | 3 | 5 | 4.4 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O | 10.1021/acs.jmedchem.1c00790 | |||
| CHEMBL148309 | 47294 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 595 | 11 | 3 | 5 | 4.4 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O | 10.1021/acs.jmedchem.1c00790 | |||
| 44354462 | 29332 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 15 | 5 | 8 | 3.9 | COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL132610 | 29332 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 15 | 5 | 8 | 3.9 | COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 | 10.1016/s0960-894x(00)00687-9 | |||
| 44363953 | 45275 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 623 | 12 | 3 | 5 | 6.2 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(c2cccc(-c3ccccc3)c2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL146431 | 45275 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 623 | 12 | 3 | 5 | 6.2 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(c2cccc(-c3ccccc3)c2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 10009650 | 106571 | 0 | None | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | 106571 | 0 | None | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
| 10553122 | 40826 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 490 | 12 | 2 | 5 | 4.9 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| CHEMBL142492 | 40826 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 490 | 12 | 2 | 5 | 4.9 | S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccccn1)NCCCn1ccnc1 | 10.1021/jm980118e | |||
| CHEMBL414386 | 219908 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | 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](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL2369734 | 216441 | 0 | None | -11 | 5 | Human | 6.1 | pKi | = | 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](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 | |||||
| 44308833 | 109561 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 7 | 4 | 3 | 3.3 | NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL305261 | 109561 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 7 | 4 | 3 | 3.3 | NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| 10625762 | 44158 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | 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 | 44158 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 11 | 3 | 4 | 5.2 | NCCCC/N=C(\S)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.1021/jm980118e | |||
| CHEMBL2372962 | 217107 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | 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)Cc2c[nH]c3ccccc23)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)CS1=CCCC1 | 10.1021/jm9806289 | |||||
| 44354849 | 30923 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 618 | 12 | 4 | 7 | 3.7 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)c2cccnc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL133909 | 30923 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 618 | 12 | 4 | 7 | 3.7 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)c2cccnc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 44354851 | 123545 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 657 | 12 | 5 | 7 | 4.1 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL337645 | 123545 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 657 | 12 | 5 | 7 | 4.1 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| 71458043 | 85678 | 0 | None | -7 | 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 | 85678 | 0 | None | -7 | 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 | |||
| 44385652 | 67166 | 0 | None | -34 | 5 | Human | 5.1 | pKi | = | 5.1 | 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 | 67166 | 0 | None | -34 | 5 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
| CHEMBL2369751 | 216448 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | |||||
| 10602230 | 40741 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | 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 | 40741 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
| 44354612 | 31446 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 662 | 13 | 5 | 7 | 4.7 | COc1cccc(NC(=O)N2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)c1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL134353 | 31446 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 662 | 13 | 5 | 7 | 4.7 | COc1cccc(NC(=O)N2CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc34)C2)c1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL2369754 | 216451 | 0 | None | 12 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | |||||
| 168280914 | 197581 | 0 | None | -18197 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5183772 | 197581 | 0 | None | -18197 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| 44354503 | 123463 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 598 | 12 | 5 | 6 | 3.5 | CC(C)NC(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL337178 | 123463 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 598 | 12 | 5 | 6 | 3.5 | CC(C)NC(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 | 10.1016/s0960-894x(00)00687-9 | |||
| 10096510 | 64202 | 0 | None | -26 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 5.2 | CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL165402 | 64202 | 0 | None | -26 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 5.2 | CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL384607 | 219112 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | 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(C#N)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 2055 | 9682 | 48 | None | -7 | 14 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | None | -7 | 14 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | None | -7 | 14 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | None | -7 | 14 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | None | -7 | 14 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | None | -7 | 14 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | |||||
| 16161315 | 222875 | 0 | None | -2 | 13 | Mouse | 8.0 | pIC50 | = | 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 | |||
| 156612990 | 224530 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 1497 | 26 | 15 | 24 | -6.0 | C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O.[64Cu+2] | None | |||
| 2028 | 8288 | 0 | None | 19 | 6 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 12616335 | |||||
| 13105142 | 222877 | 0 | 125I-Tyr3-octreotide | 4 | 5 | Human | 10.7 | pKi | = | 10.7 | 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 | |||
| 16161315 | 222875 | 0 | 125I-Tyr3-octreotide | 1 | 13 | Human | 10.5 | pKi | = | 10.5 | 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 | 222875 | 0 | 125I-Tyr11-SRIF | -2 | 13 | Rat | 10.4 | pKi | = | 10.4 | 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 | |||
| 16161315 | 222875 | 0 | 125I-LTT-SST-28 | 1 | 13 | Human | 10.4 | pKi | = | 10.4 | 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 | |||
| 16161315 | 222875 | 0 | 125I-Tyr11-SRIF-14 | 1 | 13 | Human | 10.5 | pKi | = | 10.5 | 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 | |||
| 2054 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 10.3 | pKi | = | 10.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 10.3 | pKi | = | 10.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 10.3 | pKi | = | 10.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 10.3 | pKi | = | 10.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 10.3 | pKi | = | 10.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 222875 | 0 | 125I-Tyr11-somatostatin-14 | 1 | 13 | Human | 10.3 | pKi | = | 10.3 | 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 | |||
| None | 222876 | 0 | 125I-LTT-SST-28 | 2 | 12 | Human | 10.3 | pKi | = | 10.3 | 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 | 223126 | 0 | 125I-LTT-SST-28 | 6165 | 5 | Human | 10.3 | pKi | = | 10.3 | 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 | 223126 | 0 | Functional | 6165 | 5 | Human | 10.3 | pKi | = | 10.3 | 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 | 223126 | 0 | UNDEFINED | 6165 | 5 | Human | 10.3 | pKi | = | 10.3 | 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 | |||
| 2054 | 10746 | 15 | 125I-SRIF-28 | 2 | 11 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-SRIF-28 | 2 | 11 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-SRIF-28 | 2 | 11 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-SRIF-28 | 2 | 11 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-SRIF-28 | 2 | 11 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 222875 | 0 | 125I-CGP23996 | 1 | 13 | Human | 10.2 | pKi | = | 10.2 | 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 | |||
| 16161315 | 222875 | 0 | 125I-Tyr3-octreotide | 1 | 13 | Human | 10.2 | pKi | = | 10.2 | 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 | 222876 | 0 | 125I-SRIF-28 | 2 | 12 | Human | 10.2 | pKi | = | 10.2 | 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 | |||
| None | 222876 | 0 | 125I-Tyr11-SRIF | 2 | 12 | Human | 10.2 | pKi | = | 10.2 | 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 | |||
| None | 222876 | 0 | 125I-Tyr11-somatostatin-14 | -3 | 12 | Mouse | 10.2 | pKi | = | 10.2 | 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 | 222875 | 0 | 125I-Tyr11-SRIF | 1 | 13 | Human | 10.2 | pKi | = | 10.2 | 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 | |||
| 16161315 | 222875 | 0 | 125I-Tyr11-SRIF | -2 | 13 | Rat | 10.2 | pKi | = | 10.2 | 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 | |||
| 2054 | 10746 | 15 | 125I-SRIF | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-SRIF | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-SRIF | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-SRIF | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-SRIF | 2 | 11 | Human | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 222875 | 0 | 125I-Tyr10-CST14 | 1 | 13 | Human | 10.1 | pKi | = | 10.1 | 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 | 222875 | 0 | 125I-Tyr11-SRIF | 1 | 13 | Human | 10.1 | pKi | = | 10.1 | 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 | 222875 | 0 | 125I-Tyr11-somatostatin-14 | -2 | 13 | Mouse | 10.1 | pKi | = | 10.1 | 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 | |||
| None | 222876 | 0 | 125I-SRIF | 2 | 12 | Human | 10.1 | pKi | = | 10.1 | 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 | |||
| 13105142 | 222877 | 0 | 125I-Tyr3-octreotide | 4 | 5 | Human | 10.1 | pKi | = | 10.1 | 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 | |||
| 16161315 | 222875 | 0 | 125I-CGP23996 | 1 | 13 | Human | 10.1 | pKi | = | 10.1 | 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 | 222875 | 0 | 125I-Tyr3-octreotide | 1 | 13 | Human | 10.1 | pKi | = | 10.1 | 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 | 222875 | 0 | 125I-Tyr10-CST14 | 1 | 13 | Human | 10.1 | pKi | = | 10.1 | 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 | |||
| 2054 | 10746 | 15 | 125I-Tyr11-SRIF | -19 | 11 | Mouse | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-Tyr11-SRIF | -19 | 11 | Mouse | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-Tyr11-SRIF | -19 | 11 | Mouse | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-Tyr11-SRIF | -19 | 11 | Mouse | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-Tyr11-SRIF | -19 | 11 | Mouse | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 222875 | 0 | 125I-LTT-SRIF28 | 1 | 13 | Human | 10.0 | pKi | = | 10 | 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 | 222877 | 0 | 125I-LTT-SRIF28 | 4 | 5 | Human | 10.0 | pKi | = | 10 | 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 | 222877 | 0 | UNDEFINED | 4 | 5 | Human | 10.0 | pKi | = | 10 | 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 | 222877 | 0 | 125I-LTT-SRIF28 | 4 | 5 | Human | 10.0 | pKi | = | 10.0 | 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 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 222876 | 0 | 125I-SOMATOSTATIN | -3 | 12 | Mouse | 9.9 | pKi | = | 9.9 | 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 | 222877 | 0 | 125I-CGP23996 | 4 | 5 | Human | 9.8 | pKi | = | 9.8 | 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 | 222877 | 0 | 125I-Tyr3-octreotide | 4 | 5 | Human | 9.8 | pKi | = | 9.8 | 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 | 222876 | 0 | 125I-MK-678 | -3 | 12 | Mouse | 9.7 | pKi | = | 9.7 | 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 | 222876 | 0 | 125I-Tyr11-SRIF | -3 | 12 | Mouse | 9.7 | pKi | = | 9.7 | 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 | 222875 | 0 | 125I-SRIF-28 | 1 | 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 | |||
| 16161315 | 222875 | 0 | 125I-SOMATOSTATIN 14 | 1 | 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 | |||
| 16161315 | 222875 | 0 | 125I-SRIF | 1 | 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 | |||
| 16161315 | 222875 | 0 | 125I-Tyr11-SRIF | 1 | 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 | |||
| 16161315 | 222875 | 0 | UNDEFINED | 1 | 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 | |||
| 16161315 | 222875 | 0 | 125I-Tyr11-somatostatin-14 | -2 | 13 | Rat | 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 | |||
| 16161315 | 222875 | 0 | 125I-Tyr11-somatostatin-14 | 1 | 13 | Human | 9.6 | pKi | = | 9.6 | 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 | 222875 | 0 | 125I-SOMATOSTATIN | -2 | 13 | Mouse | 9.6 | pKi | = | 9.6 | 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 | |||
| 13105142 | 222877 | 0 | 125I-Tyr10-CST14 | 4 | 5 | Human | 9.6 | pKi | = | 9.6 | 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 | 222877 | 0 | 125I-Tyr10-CST14 | 4 | 5 | Human | 9.6 | pKi | = | 9.6 | 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 | 10746 | 15 | 125I-Tyr10-CST14 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-Tyr10-CST14 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-Tyr10-CST14 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-Tyr10-CST14 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-Tyr10-CST14 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 10746 | 15 | 125I-CGP23996 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-CGP23996 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-CGP23996 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-CGP23996 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-CGP23996 | 2 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 222875 | 0 | 125I-MK-678 | -2 | 13 | Mouse | 9.6 | pKi | = | 9.6 | 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 | 222875 | 0 | 125I-Tyr11-SRIF | -2 | 13 | Mouse | 9.6 | pKi | = | 9.6 | 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 | 222875 | 0 | 125I-Tyr11-somatostatin | -2 | 13 | Rat | 9.6 | pKi | = | 9.6 | 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 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 222876 | 0 | 125I-Tyr11-SRIF | 2 | 12 | Human | 9.5 | pKi | = | 9.5 | 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 | |||
| 2055 | 9682 | 48 | 125I-SRIF-28 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-SRIF-28 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-SRIF-28 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-SRIF-28 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-SRIF-28 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-SRIF-28 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-SOMATOSTATIN 14 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-SOMATOSTATIN 14 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-SOMATOSTATIN 14 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-SOMATOSTATIN 14 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-SOMATOSTATIN 14 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-SOMATOSTATIN 14 | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-SRIF | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | UNDEFINED | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | UNDEFINED | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | UNDEFINED | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | UNDEFINED | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | UNDEFINED | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | UNDEFINED | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-LTT-SRIF28 | 2 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 222876 | 0 | 125I-SOMATOSTATIN | -2 | 12 | Rat | 9.3 | pKi | = | 9.3 | 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 | 223274 | 0 | 125I-LTT-SST-28 | 3981 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2031 | 9053 | 0 | UNDEFINED | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71349 | 9053 | 0 | UNDEFINED | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB06791 | 9053 | 0 | UNDEFINED | 2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -7 | 14 | Mouse | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -7 | 14 | Mouse | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -7 | 14 | Mouse | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -7 | 14 | Mouse | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -7 | 14 | Mouse | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr11-SRIF | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -7 | 14 | Mouse | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 223274 | 0 | 125I-LTT-SST-28 | 3981 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr11-somatostatin-14 | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-LTT-SRIF28 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-CGP23996 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-CGP23996 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-CGP23996 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-CGP23996 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-CGP23996 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-CGP23996 | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr10-CST14 | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 10746 | 15 | 125I-SOMATOSTATIN | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-SOMATOSTATIN | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-SOMATOSTATIN | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-SOMATOSTATIN | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-SOMATOSTATIN | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 222875 | 0 | 125I-LTT-SST-28 | 1 | 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 | |||
| 2054 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-Tyr3-octreotide | 2 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 222875 | 0 | 125I-SOMATOSTATIN | -2 | 13 | Mouse | 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 | 222875 | 0 | 125I-SOMATOSTATIN | -2 | 13 | Rat | 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 | |||
| None | 223125 | 0 | 125I-SOMATOSTATIN | -4 | 9 | Mouse | 8.8 | pKi | = | 8.8 | 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 | 222876 | 0 | 125I-LTT-SST-28 | 2 | 12 | Human | 8.8 | pKi | = | 8.8 | 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 | 222875 | 0 | None | 1 | 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 | |||
| 2247 | 7293 | 81 | UNDEFINED | -5754 | 42 | 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 | 7293 | 81 | UNDEFINED | -5754 | 42 | 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 | 7293 | 81 | UNDEFINED | -5754 | 42 | 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 | 7293 | 81 | UNDEFINED | -5754 | 42 | 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 | 7293 | 81 | UNDEFINED | -5754 | 42 | 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 | 12404 | 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 | 12404 | 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 | 12405 | 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 | 12405 | 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 | 12409 | 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 | 12409 | 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 | 12450 | 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 | 12450 | 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 | 12451 | 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 | 12451 | 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 | 12453 | 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 | 12453 | 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 | 12474 | 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 | 12474 | 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 | 12487 | 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 | 12487 | 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 | 12489 | 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 | 12489 | 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 | 12495 | 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 | 12495 | 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 | 12516 | 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 | 12516 | 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 | 12518 | 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 | 12518 | 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 | 12519 | 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 | 12519 | 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 | 12534 | 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 | 12534 | 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 | 12564 | 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 | 12564 | 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 | 12575 | 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 | 12575 | 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 | 12579 | 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 | 12579 | 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 | 12580 | 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 | 12580 | 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 | 12583 | 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 | 12583 | 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 | 12613 | 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 | 12613 | 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 | 12629 | 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 | 12629 | 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 | 12630 | 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 | 12630 | 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 | 12631 | 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 | 12631 | 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 | 12693 | 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 | 12693 | 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 | 12728 | 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 | 12728 | 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 | 12835 | 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 | 12835 | 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 | 12836 | 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 | 12836 | 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 | 12837 | 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 | 12837 | 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 | 12919 | 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 | 12919 | 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 | 12920 | 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 | 12920 | 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 | 12948 | 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 | 12948 | 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 | 12987 | 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 | 12987 | 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 | 13120 | 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 | 13120 | 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 | 13121 | 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 | 13121 | 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 | 95921 | 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 | 95921 | 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 | 95922 | 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 | 95922 | 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 | 95933 | 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 | 95933 | 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 | 95934 | 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 | 95934 | 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 | 96019 | 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 | 96019 | 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 | 96482 | 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 | 96482 | 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 | 152895 | 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 | 152895 | 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 | 154659 | 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 | 154659 | 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 | 154787 | 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 | 154787 | 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 | 155131 | 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 | 155131 | 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 | 223127 | 0 | 125I-LTT-SST-28 | -263 | 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 | 223127 | 0 | UNDEFINED | -263 | 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 | 224403 | 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 | 224404 | 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 | 224405 | 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 | 224406 | 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 | 224407 | 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 | 224408 | 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 | 224409 | 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 | 224410 | 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 | 224411 | 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 | 224412 | 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 | 224413 | 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 | 224414 | 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 | 224415 | 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 | |||
| None | 223125 | 0 | 125I-SOMATOSTATIN | -109 | 9 | Rat | 7.0 | pKi | = | 7 | 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 | 223125 | 0 | 125I-SOMATOSTATIN | -4 | 9 | Mouse | 8.0 | pKi | = | 8.0 | 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 | 223125 | 0 | 125I-Tyr11-somatostatin-14 | -16 | 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 | 223125 | 0 | UNDEFINED | -16 | 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 | |||
| 2055 | 9682 | 48 | 125I-SOMATOSTATIN | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-SOMATOSTATIN | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-SOMATOSTATIN | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-SOMATOSTATIN | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-SOMATOSTATIN | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-SOMATOSTATIN | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-LTT-SST-28 | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-Tyr11-SRIF | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr11-SRIF | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr11-SRIF | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr11-SRIF | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr11-SRIF | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr11-SRIF | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-MK-678 | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-MK-678 | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-MK-678 | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-MK-678 | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-MK-678 | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-MK-678 | -7 | 14 | Mouse | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-Tyr3-octreotide | -1 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | 125I-SOMATOSTATIN | -7 | 14 | Mouse | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 223128 | 0 | 125I-LTT-SST-28 | -12589 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | 223128 | 0 | UNDEFINED | -12589 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
| 2054 | 10746 | 15 | 125I-LTT-SST-28 | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 10746 | 15 | UNDEFINED | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-LTT-SST-28 | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | UNDEFINED | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-LTT-SST-28 | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | UNDEFINED | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-LTT-SST-28 | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | UNDEFINED | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-LTT-SST-28 | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | UNDEFINED | 2 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 223129 | 0 | 125I-LTT-SST-28 | -72 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | 223129 | 0 | UNDEFINED | -72 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | |||
| 16161315 | 222875 | 0 | 125I-Tyr11-SRIF | -2 | 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 | |||
| 2054 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 10746 | 15 | 125I-SOMATOSTATIN | -19 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 9682 | 48 | None | -10 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 383414 | 9682 | 48 | None | -10 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 90488715 | 9682 | 48 | None | -10 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL1680 | 9682 | 48 | None | -10 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL262746 | 9682 | 48 | None | -10 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| DB00104 | 9682 | 48 | None | -10 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 154734381 | 224493 | 0 | None | -1 | 9 | Rat | 8.1 | pKi | = | 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 | |||
| None | 222876 | 0 | 125I-SOMATOSTATIN | -3 | 12 | Mouse | 7.1 | pKi | = | 7.1 | 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 | |||
| 154734381 | 224493 | 0 | None | -1 | 9 | Mouse | 8.0 | pKi | = | 8.0 | 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 | |||
| 154734381 | 224493 | 0 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | 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 | |||
| 2050 | 9035 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 585 | 8 | 5 | 5 | 4.2 | NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 9784130 | |||
| 5311372 | 9035 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 585 | 8 | 5 | 5 | 4.2 | NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 9784130 | |||
| 2044 | 8310 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2052 | 9521 | 0 | None | 3 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 15965425 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | Binding | Guide to Pharmacology | 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 | 9724791 | |||
| 2046 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | Binding | Guide to Pharmacology | 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 | 9724791 | |||
| CHEMBL99895 | 8987 | 7 | None | 3090 | 5 | Human | 11.0 | pKi | = | 11 | Binding | Guide to Pharmacology | 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 | 9724791 | |||
| 2065 | 7022 | 0 | None | 1 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 9804621 | |||||
| 2067 | 9941 | 0 | None | 1 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9544214 | |||||
| 2054 | 10746 | 15 | None | -19 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 71306 | 10746 | 15 | None | -19 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL264186 | 10746 | 15 | None | -19 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL3349523 | 10746 | 15 | None | -19 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB04894 | 10746 | 15 | None | -19 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2014 | 8995 | 0 | None | -7 | 9 | Mouse | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2034 | 7426 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2034 | 7426 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2034 | 7426 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2014 | 8995 | 0 | None | -5 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2066 | 9940 | 0 | None | 7 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9544214 | |||||
| 2031 | 9053 | 0 | None | -16 | 9 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 71349 | 9053 | 0 | None | -16 | 9 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB06791 | 9053 | 0 | None | -16 | 9 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2032 | 7424 | 0 | None | -15 | 7 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2029 | 9154 | 0 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12616335 | |||||
| 2055 | 9682 | 48 | None | -7 | 14 | Mouse | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 383414 | 9682 | 48 | None | -7 | 14 | Mouse | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 90488715 | 9682 | 48 | None | -7 | 14 | Mouse | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL1680 | 9682 | 48 | None | -7 | 14 | Mouse | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL262746 | 9682 | 48 | None | -7 | 14 | Mouse | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB00104 | 9682 | 48 | None | -7 | 14 | Mouse | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2047 | 8996 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2047 | 8996 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2017 | 9520 | 0 | None | 2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2004 | 7429 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2004 | 7429 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2004 | 7429 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2004 | 7429 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2051 | 10349 | 24 | None | -16 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 5311430 | 10349 | 24 | None | -16 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL311695 | 10349 | 24 | None | -16 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2014 | 8995 | 0 | None | 2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2014 | 8995 | 0 | None | 2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2014 | 8995 | 0 | None | 2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2035 | 7427 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2007 | 7953 | 0 | None | -6 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2007 | 7953 | 0 | None | -6 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2007 | 7953 | 0 | None | -6 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2055 | 9682 | 48 | None | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 383414 | 9682 | 48 | None | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 90488715 | 9682 | 48 | None | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL1680 | 9682 | 48 | None | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL262746 | 9682 | 48 | None | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB00104 | 9682 | 48 | None | -10 | 14 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2031 | 9053 | 0 | None | -2 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 71349 | 9053 | 0 | None | -2 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB06791 | 9053 | 0 | None | -2 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2019 | 10447 | 0 | None | -13 | 10 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 44386062 | 10447 | 0 | None | -13 | 10 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL440072 | 10447 | 0 | None | -13 | 10 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 16133849 | 10448 | 12 | None | -11 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2020 | 10448 | 12 | None | -11 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 91935900 | 10448 | 12 | None | -11 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL501796 | 10448 | 12 | None | -11 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 16130961 | 7678 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 16130961 | 7678 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 16130961 | 7678 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 16130961 | 7678 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2005 | 7678 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2005 | 7678 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2005 | 7678 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2005 | 7678 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2054 | 10746 | 15 | None | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 71306 | 10746 | 15 | None | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL264186 | 10746 | 15 | None | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL3349523 | 10746 | 15 | None | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB04894 | 10746 | 15 | None | -2 | 11 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2031 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2031 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2031 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2031 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2031 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 71349 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 71349 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 71349 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 71349 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 71349 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| DB06791 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| DB06791 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| DB06791 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| DB06791 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| DB06791 | 9053 | 0 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2054 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2054 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 71306 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 71306 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL264186 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL264186 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL3349523 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL3349523 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| DB04894 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| DB04894 | 10746 | 15 | None | 2 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2019 | 10447 | 0 | None | -5 | 10 | Mouse | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 44386062 | 10447 | 0 | None | -5 | 10 | Mouse | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL440072 | 10447 | 0 | None | -5 | 10 | Mouse | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2032 | 7424 | 0 | None | -1 | 7 | Rat | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2038 | 7433 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2055 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2055 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2055 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2055 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2055 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2055 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 383414 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 383414 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 383414 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 383414 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 383414 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 383414 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 90488715 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 90488715 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 90488715 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 90488715 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 90488715 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 90488715 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL1680 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL1680 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL1680 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL1680 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL1680 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| CHEMBL1680 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL262746 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL262746 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL262746 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL262746 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL262746 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| CHEMBL262746 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| DB00104 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| DB00104 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| DB00104 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| DB00104 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| DB00104 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| DB00104 | 9682 | 48 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 2051 | 10349 | 24 | None | -2 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 5311430 | 10349 | 24 | None | -2 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL311695 | 10349 | 24 | None | -2 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 5644 | 7364 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 8863814 | |||||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2051 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 5311430 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| CHEMBL311695 | 10349 | 24 | None | 2 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 2043 | 8120 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2036 | 7430 | 0 | None | -17 | 5 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2036 | 7430 | 0 | None | -17 | 5 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2036 | 7430 | 0 | None | -17 | 5 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2036 | 7430 | 0 | None | -17 | 5 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2040 | 7435 | 0 | None | 1 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2008 | 7994 | 0 | None | -1 | 6 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2008 | 7994 | 0 | None | -1 | 6 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 2008 | 7994 | 0 | None | -1 | 6 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 16133849 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 16133849 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 16133849 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 16133849 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 16133849 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 16133849 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2020 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2020 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 2020 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2020 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2020 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2020 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 91935900 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 91935900 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 91935900 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 91935900 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 91935900 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 91935900 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| CHEMBL501796 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL501796 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| CHEMBL501796 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL501796 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL501796 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL501796 | 10448 | 12 | None | -3 | 9 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2048 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 2048 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||
| 70692642 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 70692642 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||
| CHEMBL2052017 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL2052017 | 8997 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||
| 2032 | 7424 | 0 | None | 1 | 7 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2037 | 7432 | 0 | None | -1 | 2 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 2019 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 44386062 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9652348 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL440072 | 10447 | 0 | None | -1 | 10 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||