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 |
| CHEMBL342252 | 211673 | 0 | None | 2 | 4 | Rat | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm5003843 | ||||
| 1574 | 2809 | 20 | None | 26 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 1579 | 2809 | 20 | None | 26 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 25077406 | 2809 | 20 | None | 26 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 3830 | 2809 | 20 | None | 26 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| CHEMBL407196 | 2809 | 20 | None | 26 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.06.033 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.06.033 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.06.033 | ||||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 1574 | 2809 | 20 | None | -26 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| 1579 | 2809 | 20 | None | -26 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| 25077406 | 2809 | 20 | None | -26 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| 3830 | 2809 | 20 | None | -26 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| CHEMBL407196 | 2809 | 20 | None | -26 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| 155569717 | 176239 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4537266 | 176239 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4594723 | 176239 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 155569737 | 176635 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4457798 | 176635 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4597941 | 176635 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL504768 | 214184 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL468951 | 214026 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL342252 | 211673 | 0 | None | -2 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 127030965 | 139203 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 155559776 | 139203 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL3787709 | 139203 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4564746 | 139203 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 118610427 | 175436 | 25 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4576388 | 175436 | 25 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 1569 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 5311318 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 44123840 | 172736 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1173 | 48 | 15 | 16 | 0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNCCCNCCCNCCCCNCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801481y | ||
| CHEMBL450740 | 172736 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1173 | 48 | 15 | 16 | 0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNCCCNCCCNCCCCNCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801481y | ||
| 127032102 | 139198 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3786852 | 139198 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787704 | 139198 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| 1574 | 2809 | 20 | None | -26 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 1579 | 2809 | 20 | None | -26 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 25077406 | 2809 | 20 | None | -26 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 3830 | 2809 | 20 | None | -26 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL407196 | 2809 | 20 | None | -26 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 127032102 | 139198 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3786852 | 139198 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787704 | 139198 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| 44572616 | 188782 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL505695 | 188782 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL344337 | 211705 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 1574 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1579 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 25077406 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 3830 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL407196 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 127032412 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3785364 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3786291 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787706 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL4579623 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| 3631325 | 54818 | 19 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 275 | 5 | 0 | 5 | 2.4 | COc1ccc(C(C[N+](=O)[O-])n2nc(C)cc2C)cc1 | nan | ||
| CHEMBL1612634 | 54818 | 19 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 275 | 5 | 0 | 5 | 2.4 | COc1ccc(C(C[N+](=O)[O-])n2nc(C)cc2C)cc1 | nan | ||
| 3357104 | 46960 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 497 | 7 | 1 | 7 | 2.9 | CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C | nan | ||
| CHEMBL1541329 | 46960 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 497 | 7 | 1 | 7 | 2.9 | CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C | nan | ||
| 2172285 | 34603 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 385 | 3 | 1 | 4 | 3.8 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1 | nan | ||
| CHEMBL1429636 | 34603 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 385 | 3 | 1 | 4 | 3.8 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1 | nan | ||
| 1804911 | 30161 | 8 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 419 | 3 | 1 | 4 | 4.4 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)c1 | nan | ||
| CHEMBL1390127 | 30161 | 8 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 419 | 3 | 1 | 4 | 4.4 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)c1 | nan | ||
| 145974670 | 164638 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4216311 | 164638 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 1519056 | 71769 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 374 | 3 | 0 | 6 | 3.2 | COC(=O)c1cc(=O)n(-c2ccc(F)cc2)/c(=N/c2ccc(F)cc2)s1 | nan | ||
| CHEMBL1966872 | 71769 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 374 | 3 | 0 | 6 | 3.2 | COC(=O)c1cc(=O)n(-c2ccc(F)cc2)/c(=N/c2ccc(F)cc2)s1 | nan | ||
| 1899419 | 50241 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 314 | 3 | 2 | 5 | 2.2 | O=C1NC(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N1 | nan | ||
| CHEMBL1571258 | 50241 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 314 | 3 | 2 | 5 | 2.2 | O=C1NC(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N1 | nan | ||
| 16319272 | 45803 | 3 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 245 | 3 | 0 | 2 | 3.3 | O=C(/C=C/c1cccnc1)c1ccc(F)c(F)c1 | nan | ||
| CHEMBL1530988 | 45803 | 3 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 245 | 3 | 0 | 2 | 3.3 | O=C(/C=C/c1cccnc1)c1ccc(F)c(F)c1 | nan | ||
| 145967420 | 164280 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4211866 | 164280 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 15945158 | 35013 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 386 | 5 | 0 | 4 | 5.7 | O=C(/C=C\c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1 | nan | ||
| CHEMBL1433015 | 35013 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 386 | 5 | 0 | 4 | 5.7 | O=C(/C=C\c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1 | nan | ||
| 7341556 | 23307 | 8 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 361 | 2 | 1 | 4 | 2.9 | CN1C(=O)/C(=C/c2cccn2-c2ccc3ccccc3c2)C(=O)NC1=S | nan | ||
| CHEMBL1332241 | 23307 | 8 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 361 | 2 | 1 | 4 | 2.9 | CN1C(=O)/C(=C/c2cccn2-c2ccc3ccccc3c2)C(=O)NC1=S | nan | ||
| 695637 | 54723 | 10 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 329 | 3 | 1 | 5 | 3.4 | COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1O | nan | ||
| CHEMBL1611796 | 54723 | 10 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 329 | 3 | 1 | 5 | 3.4 | COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1O | nan | ||
| 44157044 | 191015 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 546 | 8 | 2 | 6 | 5.9 | CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL518675 | 191015 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 546 | 8 | 2 | 6 | 5.9 | CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| 182785 | 187440 | 2 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 4 | 2 | 3 | 6.0 | CC(C)Nc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1 | nan | ||
| CHEMBL493863 | 187440 | 2 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 4 | 2 | 3 | 6.0 | CC(C)Nc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1 | nan | ||
| 135400412 | 67292 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 379 | 5 | 2 | 2 | 4.6 | O=C(N/N=C/c1c[nH]c2ccccc12)C1CC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1882689 | 67292 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 379 | 5 | 2 | 2 | 4.6 | O=C(N/N=C/c1c[nH]c2ccccc12)C1CC1(c1ccccc1)c1ccccc1 | nan | ||
| 5418979 | 24831 | 10 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 330 | 3 | 1 | 4 | 2.5 | O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccs1 | nan | ||
| CHEMBL1344927 | 24831 | 10 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 330 | 3 | 1 | 4 | 2.5 | O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccs1 | nan | ||
| 6526694 | 27605 | 3 | None | -23 | 5 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 364 | 4 | 1 | 3 | 5.7 | O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 | nan | ||
| CHEMBL1369594 | 27605 | 3 | None | -23 | 5 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 364 | 4 | 1 | 3 | 5.7 | O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 | nan | ||
| 3124420 | 55667 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 4 | 0 | 0 | 7.0 | c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1 | nan | ||
| CHEMBL1439624 | 55667 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 4 | 0 | 0 | 7.0 | c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1 | nan | ||
| CHEMBL1621746 | 55667 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 4 | 0 | 0 | 7.0 | c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1 | nan | ||
| 16195600 | 46261 | 2 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 320 | 3 | 2 | 5 | 2.5 | O=C1NC(=O)C(=Cc2ccc(SC3CCCCC3)o2)C(=O)N1 | nan | ||
| CHEMBL1535216 | 46261 | 2 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 320 | 3 | 2 | 5 | 2.5 | O=C1NC(=O)C(=Cc2ccc(SC3CCCCC3)o2)C(=O)N1 | nan | ||
| 2198843 | 19957 | 6 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.8 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1 | nan | ||
| CHEMBL1302946 | 19957 | 6 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.8 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1 | nan | ||
| 4326878 | 31490 | 3 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 350 | 7 | 2 | 10 | 1.8 | Cn1ccnc1Sc1cc(NCCCO)c([N+](=O)[O-])c2nonc12 | nan | ||
| CHEMBL1403329 | 31490 | 3 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 350 | 7 | 2 | 10 | 1.8 | Cn1ccnc1Sc1cc(NCCCO)c([N+](=O)[O-])c2nonc12 | nan | ||
| 5735866 | 28516 | 9 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 343 | 4 | 1 | 2 | 4.3 | CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1 | nan | ||
| CHEMBL1375998 | 28516 | 9 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 343 | 4 | 1 | 2 | 4.3 | CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1 | nan | ||
| 145989745 | 167085 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4289739 | 167085 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| 145966776 | 164436 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4213725 | 164436 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 135871468 | 59225 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.9 | COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL1702299 | 59225 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.9 | COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(C(F)(F)F)c1 | nan | ||
| 145972052 | 164518 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4214816 | 164518 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 745143 | 47627 | 8 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1 | nan | ||
| CHEMBL1546782 | 47627 | 8 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1 | nan | ||
| 2834420 | 55055 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 435 | 7 | 0 | 4 | 5.0 | CC1CCC(C(C)C)C(OC(=O)Cn2c(COc3ccccc3)[n+](C)c3ccccc32)C1 | nan | ||
| CHEMBL1325192 | 55055 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 435 | 7 | 0 | 4 | 5.0 | CC1CCC(C(C)C)C(OC(=O)Cn2c(COc3ccccc3)[n+](C)c3ccccc32)C1 | nan | ||
| CHEMBL1616559 | 55055 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 435 | 7 | 0 | 4 | 5.0 | CC1CCC(C(C)C)C(OC(=O)Cn2c(COc3ccccc3)[n+](C)c3ccccc32)C1 | nan | ||
| 2827476 | 55257 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 307 | 6 | 1 | 6 | 2.3 | CC(=O)n1cc(C(C[N+](=O)[O-])SCCN)c2ccccc21 | nan | ||
| CHEMBL1322180 | 55257 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 307 | 6 | 1 | 6 | 2.3 | CC(=O)n1cc(C(C[N+](=O)[O-])SCCN)c2ccccc21 | nan | ||
| CHEMBL1618016 | 55257 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 307 | 6 | 1 | 6 | 2.3 | CC(=O)n1cc(C(C[N+](=O)[O-])SCCN)c2ccccc21 | nan | ||
| 4318511 | 55002 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc21 | nan | ||
| CHEMBL1338004 | 55002 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc21 | nan | ||
| CHEMBL1616169 | 55002 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc21 | nan | ||
| 216239 | 23795 | 118 | None | -7 | 11 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | nan | ||
| CHEMBL1200485 | 23795 | 118 | None | -7 | 11 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | nan | ||
| CHEMBL1336 | 23795 | 118 | None | -7 | 11 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | nan | ||
| 16746296 | 31665 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 513 | 9 | 0 | 6 | 6.5 | COc1ccc(C(CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 | nan | ||
| CHEMBL1405092 | 31665 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 513 | 9 | 0 | 6 | 6.5 | COc1ccc(C(CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 | nan | ||
| 4316708 | 55702 | 3 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 327 | 5 | 0 | 2 | 4.8 | O=C(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1 | nan | ||
| CHEMBL1482193 | 55702 | 3 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 327 | 5 | 0 | 2 | 4.8 | O=C(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1 | nan | ||
| CHEMBL1622001 | 55702 | 3 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 327 | 5 | 0 | 2 | 4.8 | O=C(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1 | nan | ||
| 883995 | 23617 | 27 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 264 | 4 | 0 | 2 | 3.9 | Cc1ccc(C(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 | nan | ||
| CHEMBL1334520 | 23617 | 27 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 264 | 4 | 0 | 2 | 3.9 | Cc1ccc(C(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 | nan | ||
| 145976898 | 163832 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163832 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 145977513 | 163566 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4203162 | 163566 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145977513 | 163566 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4203162 | 163566 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145966776 | 164436 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4213725 | 164436 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 136601019 | 31749 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 343 | 4 | 1 | 4 | 3.9 | CC(C)CN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S | nan | ||
| CHEMBL1405919 | 31749 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 343 | 4 | 1 | 4 | 3.9 | CC(C)CN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S | nan | ||
| CHEMBL508380 | 214883 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 8177748 | 27009 | 16 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 271 | 4 | 0 | 3 | 3.6 | O=C(/C=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1 | nan | ||
| CHEMBL1364769 | 27009 | 16 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 271 | 4 | 0 | 3 | 3.6 | O=C(/C=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1 | nan | ||
| 910773 | 38818 | 9 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 3 | 1 | 3 | 2.9 | O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 | nan | ||
| CHEMBL1466699 | 38818 | 9 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 3 | 1 | 3 | 2.9 | O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 | nan | ||
| 3947745 | 35537 | 3 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 424 | 7 | 3 | 2 | 5.9 | OC(CNCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1ccccc1 | nan | ||
| CHEMBL1438983 | 35537 | 3 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 424 | 7 | 3 | 2 | 5.9 | OC(CNCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1ccccc1 | nan | ||
| 16746323 | 23439 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 12 | 0 | 6 | 6.6 | CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12 | nan | ||
| CHEMBL1333191 | 23439 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 12 | 0 | 6 | 6.6 | CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12 | nan | ||
| 1187240 | 44987 | 15 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 4.7 | O=[N+]([O-])c1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 | nan | ||
| CHEMBL1523597 | 44987 | 15 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 4.7 | O=[N+]([O-])c1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 | nan | ||
| 118708033 | 113291 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 7 | 2 | 4 | 3.3 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccnc3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315198 | 113291 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 7 | 2 | 4 | 3.3 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccnc3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 42600970 | 60038 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 397 | 9 | 1 | 5 | 6.4 | CCCCNc1c(-c2ccc(OC)c(SC(C)CC)c2)nc2ccc(C)cn12 | nan | ||
| CHEMBL1736159 | 60038 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 397 | 9 | 1 | 5 | 6.4 | CCCCNc1c(-c2ccc(OC)c(SC(C)CC)c2)nc2ccc(C)cn12 | nan | ||
| CHEMBL2141549 | 60038 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 397 | 9 | 1 | 5 | 6.4 | CCCCNc1c(-c2ccc(OC)c(SC(C)CC)c2)nc2ccc(C)cn12 | nan | ||
| 25102555 | 59328 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 369 | 5 | 1 | 3 | 6.0 | CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC(C(C)(C)C)CC1 | nan | ||
| CHEMBL1706262 | 59328 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 369 | 5 | 1 | 3 | 6.0 | CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC(C(C)(C)C)CC1 | nan | ||
| 3092507 | 55206 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc21 | nan | ||
| CHEMBL1328510 | 55206 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc21 | nan | ||
| CHEMBL1617738 | 55206 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc21 | nan | ||
| 5734448 | 21727 | 13 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 414 | 5 | 0 | 4 | 5.3 | O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1ccccc1F)c1ccco1 | nan | ||
| CHEMBL1318749 | 21727 | 13 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 414 | 5 | 0 | 4 | 5.3 | O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1ccccc1F)c1ccco1 | nan | ||
| 1832662 | 33493 | 17 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 403 | 5 | 0 | 7 | 3.9 | COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O | nan | ||
| CHEMBL1420229 | 33493 | 17 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 403 | 5 | 0 | 7 | 3.9 | COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O | nan | ||
| 135458768 | 108130 | 5 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 380 | 5 | 2 | 5 | 5.4 | C/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1 | nan | ||
| CHEMBL3195813 | 108130 | 5 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 380 | 5 | 2 | 5 | 5.4 | C/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1 | nan | ||
| 677881 | 41164 | 24 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 238 | 2 | 0 | 3 | 3.0 | O=CC1=C(c2ccccc2)Oc2ccccc2O1 | nan | ||
| CHEMBL1488408 | 41164 | 24 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 238 | 2 | 0 | 3 | 3.0 | O=CC1=C(c2ccccc2)Oc2ccccc2O1 | nan | ||
| 1270554 | 42228 | 11 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 478 | 6 | 1 | 6 | 5.3 | CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C)o2)ccc1Cl | nan | ||
| CHEMBL1497243 | 42228 | 11 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 478 | 6 | 1 | 6 | 5.3 | CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C)o2)ccc1Cl | nan | ||
| 9551283 | 39317 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 355 | 6 | 0 | 5 | 4.1 | CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(F)cc1 | nan | ||
| CHEMBL1470914 | 39317 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 355 | 6 | 0 | 5 | 4.1 | CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(F)cc1 | nan | ||
| 2092791 | 26439 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 415 | 6 | 1 | 7 | 3.1 | CC(C)Cn1c(N)c(C(=O)CSc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O | nan | ||
| CHEMBL1359756 | 26439 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 415 | 6 | 1 | 7 | 3.1 | CC(C)Cn1c(N)c(C(=O)CSc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O | nan | ||
| 145966776 | 164436 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4213725 | 164436 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145989745 | 167085 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4289739 | 167085 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| 42628219 | 49290 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 479 | 3 | 0 | 4 | 4.8 | O=C1c2ccc(Cl)cc2S(=O)(=O)c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c21 | nan | ||
| CHEMBL1563372 | 49290 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 479 | 3 | 0 | 4 | 4.8 | O=C1c2ccc(Cl)cc2S(=O)(=O)c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c21 | nan | ||
| 5508807 | 37093 | 5 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 362 | 3 | 1 | 4 | 4.1 | CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 | nan | ||
| CHEMBL1452379 | 37093 | 5 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 362 | 3 | 1 | 4 | 4.1 | CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 | nan | ||
| 16195113 | 55497 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 340 | 5 | 2 | 3 | 4.1 | Cc1ccc2c(c1)c1c(n2CC(O)CNC2CCCCC2)CCCC1 | nan | ||
| CHEMBL1419585 | 55497 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 340 | 5 | 2 | 3 | 4.1 | Cc1ccc2c(c1)c1c(n2CC(O)CNC2CCCCC2)CCCC1 | nan | ||
| CHEMBL1620130 | 55497 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 340 | 5 | 2 | 3 | 4.1 | Cc1ccc2c(c1)c1c(n2CC(O)CNC2CCCCC2)CCCC1 | nan | ||
| 9645147 | 72116 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 394 | 5 | 2 | 5 | 4.0 | O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL1978125 | 72116 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 394 | 5 | 2 | 5 | 4.0 | O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(O)cc1 | nan | ||
| 1081942 | 30259 | 8 | None | -4 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 432 | 6 | 1 | 6 | 2.4 | CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 | nan | ||
| CHEMBL1390986 | 30259 | 8 | None | -4 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 432 | 6 | 1 | 6 | 2.4 | CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 | nan | ||
| 2199938 | 25397 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 2 | 1 | 3 | 4.0 | Cc1cc(Br)c2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 | nan | ||
| CHEMBL1349747 | 25397 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 2 | 1 | 3 | 4.0 | Cc1cc(Br)c2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 | nan | ||
| 3240356 | 36657 | 7 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 478 | 8 | 1 | 7 | 2.4 | COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 | nan | ||
| CHEMBL1448941 | 36657 | 7 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 478 | 8 | 1 | 7 | 2.4 | COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 | nan | ||
| 135650114 | 72748 | 14 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 432 | 7 | 2 | 8 | 3.2 | COc1cc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O | nan | ||
| CHEMBL1998816 | 72748 | 14 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 432 | 7 | 2 | 8 | 3.2 | COc1cc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O | nan | ||
| 16746392 | 37058 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 534 | 12 | 0 | 6 | 6.9 | CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 | nan | ||
| CHEMBL1452114 | 37058 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 534 | 12 | 0 | 6 | 6.9 | CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 | nan | ||
| 977927 | 47339 | 8 | None | -12 | 4 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 283 | 3 | 1 | 3 | 3.5 | CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 | nan | ||
| CHEMBL1544423 | 47339 | 8 | None | -12 | 4 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 283 | 3 | 1 | 3 | 3.5 | CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 | nan | ||
| 1610853 | 55830 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 296 | 7 | 1 | 2 | 5.0 | CCCCCCCCn1c2c(c(=N)c3ccccc31)CCC2 | nan | ||
| CHEMBL1518625 | 55830 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 296 | 7 | 1 | 2 | 5.0 | CCCCCCCCn1c2c(c(=N)c3ccccc31)CCC2 | nan | ||
| CHEMBL1623084 | 55830 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 296 | 7 | 1 | 2 | 5.0 | CCCCCCCCn1c2c(c(=N)c3ccccc31)CCC2 | nan | ||
| 16114081 | 177388 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL463811 | 177388 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| 1811598 | 32198 | 5 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 404 | 9 | 1 | 4 | 3.5 | CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1409423 | 32198 | 5 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 404 | 9 | 1 | 4 | 3.5 | CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1 | nan | ||
| 16746616 | 43815 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 448 | 7 | 3 | 5 | 3.7 | Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 | nan | ||
| CHEMBL1511193 | 43815 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 448 | 7 | 3 | 5 | 3.7 | Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 | nan | ||
| 6616154 | 85489 | 4 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 484 | 7 | 2 | 5 | 4.6 | CC1CCN(CCCNC(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1 | nan | ||
| CHEMBL226876 | 85489 | 4 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 484 | 7 | 2 | 5 | 4.6 | CC1CCN(CCCNC(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1 | nan | ||
| 145966676 | 164248 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4211344 | 164248 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 2968891 | 26665 | 8 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 458 | 5 | 0 | 4 | 4.4 | O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1361814 | 26665 | 8 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 458 | 5 | 0 | 4 | 4.4 | O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1 | nan | ||
| 2177873 | 27807 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 0 | 3 | 3.5 | CCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)N(c2ccccc2)C1=S | nan | ||
| CHEMBL1370953 | 27807 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 0 | 3 | 3.5 | CCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)N(c2ccccc2)C1=S | nan | ||
| 145964771 | 164195 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4210760 | 164195 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 9550901 | 47948 | 8 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 463 | 3 | 1 | 5 | 4.7 | CC1=C(C(=O)OC2CCCCCCC2)C(c2cc3c(cc2Br)OCO3)CC(=O)N1 | nan | ||
| CHEMBL1549706 | 47948 | 8 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 463 | 3 | 1 | 5 | 4.7 | CC1=C(C(=O)OC2CCCCCCC2)C(c2cc3c(cc2Br)OCO3)CC(=O)N1 | nan | ||
| 11957215 | 55757 | 3 | None | -22 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C | nan | ||
| CHEMBL1503962 | 55757 | 3 | None | -22 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C | nan | ||
| CHEMBL1622468 | 55757 | 3 | None | -22 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C | nan | ||
| 1255859 | 29003 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 443 | 4 | 1 | 5 | 3.7 | CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 | nan | ||
| CHEMBL1380459 | 29003 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 443 | 4 | 1 | 5 | 3.7 | CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 | nan | ||
| 2891887 | 55374 | 6 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 7 | 1 | 5 | 4.7 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1 | nan | ||
| CHEMBL1380969 | 55374 | 6 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 7 | 1 | 5 | 4.7 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1 | nan | ||
| CHEMBL1619128 | 55374 | 6 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 7 | 1 | 5 | 4.7 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1 | nan | ||
| CHEMBL501956 | 214147 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 2892067 | 55565 | 8 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 472 | 7 | 1 | 5 | 4.2 | Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | nan | ||
| CHEMBL1450446 | 55565 | 8 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 472 | 7 | 1 | 5 | 4.2 | Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | nan | ||
| CHEMBL1620833 | 55565 | 8 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 472 | 7 | 1 | 5 | 4.2 | Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | nan | ||
| 6218006 | 59136 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 388 | 7 | 2 | 7 | 1.8 | COC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 | nan | ||
| CHEMBL1698682 | 59136 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 388 | 7 | 2 | 7 | 1.8 | COC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 | nan | ||
| 9590748 | 108649 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 347 | 9 | 2 | 7 | 2.8 | CCCCCCOc1ccc(/C(C)=N/NC2=NCCN2)cc1[N+](=O)[O-] | nan | ||
| CHEMBL3207463 | 108649 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 347 | 9 | 2 | 7 | 2.8 | CCCCCCOc1ccc(/C(C)=N/NC2=NCCN2)cc1[N+](=O)[O-] | nan | ||
| 145966676 | 164248 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4211344 | 164248 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 3837201 | 23581 | 7 | None | -4 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 489 | 4 | 1 | 5 | 6.0 | O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)OC1CCN2Cc3ccccc3N=C12 | nan | ||
| CHEMBL1334291 | 23581 | 7 | None | -4 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 489 | 4 | 1 | 5 | 6.0 | O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)OC1CCN2Cc3ccccc3N=C12 | nan | ||
| 1922630 | 43672 | 8 | None | -4 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 350 | 4 | 1 | 4 | 3.6 | CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1 | nan | ||
| CHEMBL1509980 | 43672 | 8 | None | -4 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 350 | 4 | 1 | 4 | 3.6 | CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1 | nan | ||
| 135651354 | 71928 | 5 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 369 | 6 | 3 | 6 | 2.7 | COc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1 | nan | ||
| CHEMBL1972217 | 71928 | 5 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 369 | 6 | 3 | 6 | 2.7 | COc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1 | nan | ||
| 24860305 | 59807 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 535 | 10 | 4 | 7 | 3.2 | C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 | nan | ||
| CHEMBL1727210 | 59807 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 535 | 10 | 4 | 7 | 3.2 | C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 | nan | ||
| 789621 | 195008 | 10 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 340 | 3 | 2 | 4 | 4.9 | Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1 | nan | ||
| CHEMBL548458 | 195008 | 10 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 340 | 3 | 2 | 4 | 4.9 | Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1 | nan | ||
| 4837288 | 36169 | 9 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 5 | 1 | 4 | 5.4 | c1ccc(CN2CCC(Nc3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 | nan | ||
| CHEMBL1444767 | 36169 | 9 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 5 | 1 | 4 | 5.4 | c1ccc(CN2CCC(Nc3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 | nan | ||
| 2832800 | 53248 | 17 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 452 | 3 | 1 | 5 | 5.4 | CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Br)s2)C(=O)C1 | nan | ||
| CHEMBL1599120 | 53248 | 17 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 452 | 3 | 1 | 5 | 5.4 | CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Br)s2)C(=O)C1 | nan | ||
| 5024835 | 40591 | 6 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 426 | 10 | 0 | 7 | 4.0 | CCCOc1ccc(C(=O)c2ccccc2C(=O)OC2CCOC2=O)cc1OCCC | nan | ||
| CHEMBL1483683 | 40591 | 6 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 426 | 10 | 0 | 7 | 4.0 | CCCOc1ccc(C(=O)c2ccccc2C(=O)OC2CCOC2=O)cc1OCCC | nan | ||
| 2882627 | 55634 | 6 | None | -6 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 357 | 9 | 2 | 3 | 4.3 | CC(NCC(O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 | nan | ||
| CHEMBL1458403 | 55634 | 6 | None | -6 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 357 | 9 | 2 | 3 | 4.3 | CC(NCC(O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 | nan | ||
| CHEMBL1621400 | 55634 | 6 | None | -6 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 357 | 9 | 2 | 3 | 4.3 | CC(NCC(O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 | nan | ||
| 42628331 | 59509 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 368 | 5 | 3 | 3 | 3.8 | C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 | nan | ||
| CHEMBL1715091 | 59509 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 368 | 5 | 3 | 3 | 3.8 | C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 | nan | ||
| 1574 | 2809 | 20 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1579 | 2809 | 20 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 25077406 | 2809 | 20 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 3830 | 2809 | 20 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL407196 | 2809 | 20 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 127032412 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3785364 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3786291 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787706 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL4579623 | 139200 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| 1574 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1579 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 25077406 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 3830 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL407196 | 2809 | 20 | None | -26 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL266571 | 210689 | 2 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| 53245590 | 92399 | 43 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL2431120 | 92399 | 43 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1016/j.bmcl.2014.06.033 | ||
| 145964771 | 164195 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4210760 | 164195 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 44564776 | 177533 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 462 | 7 | 2 | 5 | 5.0 | CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL464011 | 177533 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 462 | 7 | 2 | 5 | 5.0 | CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| 118708030 | 113286 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315193 | 113286 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 2998956 | 25529 | 6 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 424 | 7 | 1 | 6 | 2.8 | CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2cc(S(N)(=O)=O)ccc21 | nan | ||
| CHEMBL1350888 | 25529 | 6 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 424 | 7 | 1 | 6 | 2.8 | CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2cc(S(N)(=O)=O)ccc21 | nan | ||
| 145970755 | 164780 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4218115 | 164780 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 118708041 | 113299 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 585 | 11 | 2 | 6 | 6.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(N(Cc3ccnc4ccccc34)Cc3ccnc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315206 | 113299 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 585 | 11 | 2 | 6 | 6.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(N(Cc3ccnc4ccccc34)Cc3ccnc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 1520390 | 51831 | 11 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 446 | 5 | 0 | 7 | 5.0 | COc1ccc(-c2csc(N3CCN(c4cc(C)nc5ccccc45)CC3)n2)cc1OC | nan | ||
| CHEMBL1585318 | 51831 | 11 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 446 | 5 | 0 | 7 | 5.0 | COc1ccc(-c2csc(N3CCN(c4cc(C)nc5ccccc45)CC3)n2)cc1OC | nan | ||
| 3314979 | 55504 | 4 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 333 | 8 | 2 | 3 | 4.2 | CC1CCC(C(C)C)C(OCC(O)CNC(C)c2ccccc2)C1 | nan | ||
| CHEMBL1422262 | 55504 | 4 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 333 | 8 | 2 | 3 | 4.2 | CC1CCC(C(C)C)C(OCC(O)CNC(C)c2ccccc2)C1 | nan | ||
| CHEMBL1620234 | 55504 | 4 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 333 | 8 | 2 | 3 | 4.2 | CC1CCC(C(C)C)C(OCC(O)CNC(C)c2ccccc2)C1 | nan | ||
| 4308 | 101093 | 53 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 353 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL294989 | 101093 | 53 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 353 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL445035 | 213937 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 44157040 | 177013 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL462830 | 177013 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| 44157040 | 177013 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL462830 | 177013 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2014.06.033 | ||
| 4886081 | 45566 | 12 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 507 | 1 | 1 | 5 | 5.4 | Cc1cc2c3c(c1)C(C)(c1ccccc1)CC(C)(C)N3C(=O)C21C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 | nan | ||
| CHEMBL1528880 | 45566 | 12 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 507 | 1 | 1 | 5 | 5.4 | Cc1cc2c3c(c1)C(C)(c1ccccc1)CC(C)(C)N3C(=O)C21C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 | nan | ||
| 1782673 | 20897 | 2 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 248 | 3 | 0 | 4 | 2.1 | Cc1cc(N2CCOCC2)ccc1/C=C\[N+](=O)[O-] | nan | ||
| CHEMBL1310644 | 20897 | 2 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 248 | 3 | 0 | 4 | 2.1 | Cc1cc(N2CCOCC2)ccc1/C=C\[N+](=O)[O-] | nan | ||
| 2829042 | 33611 | 13 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 486 | 10 | 2 | 7 | 3.9 | CCOC(=O)c1c(NC(C)=O)sc2c(OCC(O)CN(CC)CC)c(Br)ccc12 | nan | ||
| CHEMBL1421296 | 33611 | 13 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 486 | 10 | 2 | 7 | 3.9 | CCOC(=O)c1c(NC(C)=O)sc2c(OCC(O)CN(CC)CC)c(Br)ccc12 | nan | ||
| 745141 | 34524 | 9 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1 | nan | ||
| CHEMBL1429003 | 34524 | 9 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1 | nan | ||
| 135549626 | 107887 | 5 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 339 | 6 | 4 | 5 | 1.4 | O=C(/C=C\c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O | nan | ||
| CHEMBL3192903 | 107887 | 5 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 339 | 6 | 4 | 5 | 1.4 | O=C(/C=C\c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O | nan | ||
| 145976418 | 163886 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206981 | 163886 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145977513 | 163566 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4203162 | 163566 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145972052 | 164518 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4214816 | 164518 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 2136907 | 42700 | 13 | None | 10 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 5 | 0 | 5 | 5.7 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC | nan | ||
| CHEMBL1501508 | 42700 | 13 | None | 10 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 5 | 0 | 5 | 5.7 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC | nan | ||
| 42628330 | 33121 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 368 | 5 | 3 | 3 | 3.8 | C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 | nan | ||
| CHEMBL1417142 | 33121 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 368 | 5 | 3 | 3 | 3.8 | C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 | nan | ||
| 118708040 | 113298 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 451 | 10 | 3 | 5 | 3.4 | COc1cccc(CC(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315205 | 113298 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 451 | 10 | 3 | 5 | 3.4 | COc1cccc(CC(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2014.06.033 | ||
| 6228509 | 51202 | 8 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.9 | COc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)c(OC)c1 | nan | ||
| CHEMBL1580134 | 51202 | 8 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.9 | COc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)c(OC)c1 | nan | ||
| 2236635 | 33631 | 12 | None | -1 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 425 | 4 | 1 | 4 | 4.6 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1 | nan | ||
| CHEMBL1421442 | 33631 | 12 | None | -1 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 425 | 4 | 1 | 4 | 4.6 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1 | nan | ||
| 44572622 | 172697 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL450258 | 172697 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 3689411 | 35890 | 6 | None | 5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 446 | 8 | 1 | 3 | 5.1 | O=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)CCl)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1442136 | 35890 | 6 | None | 5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 446 | 8 | 1 | 3 | 5.1 | O=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)CCl)c1ccc(Cl)cc1 | nan | ||
| 2864688 | 36434 | 9 | None | -28 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 4.6 | NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1447076 | 36434 | 9 | None | -28 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 4.6 | NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 | nan | ||
| 8178372 | 53307 | 2 | None | -5 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | ||
| CHEMBL1599610 | 53307 | 2 | None | -5 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | ||
| 118708031 | 113289 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 3 | 4 | 1.8 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(N)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315196 | 113289 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 3 | 4 | 1.8 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(N)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 145976898 | 163832 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163832 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 634713 | 36629 | 11 | None | -13 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 428 | 4 | 1 | 8 | 4.2 | Cc1cc(C)n(-c2nc(Nc3ccccc3C(F)(F)F)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| CHEMBL1448732 | 36629 | 11 | None | -13 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 428 | 4 | 1 | 8 | 4.2 | Cc1cc(C)n(-c2nc(Nc3ccccc3C(F)(F)F)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| 776319 | 45885 | 14 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 326 | 3 | 0 | 5 | 3.9 | Cc1ccc(Sc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 | nan | ||
| CHEMBL1531686 | 45885 | 14 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 326 | 3 | 0 | 5 | 3.9 | Cc1ccc(Sc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 | nan | ||
| 1894824 | 54070 | 10 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 420 | 4 | 0 | 6 | 4.2 | c1ccc(C(c2ccccc2)N2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1 | nan | ||
| CHEMBL1606390 | 54070 | 10 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 420 | 4 | 0 | 6 | 4.2 | c1ccc(C(c2ccccc2)N2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1 | nan | ||
| 25058324 | 59790 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 3.3 | COc1ccc2sc(-c3ccc(S(C)(=O)=O)cc3)c(C#CCO)c2c1 | nan | ||
| CHEMBL1726559 | 59790 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 3.3 | COc1ccc2sc(-c3ccc(S(C)(=O)=O)cc3)c(C#CCO)c2c1 | nan | ||
| 145975635 | 163786 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4205887 | 163786 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 16127648 | 14365 | 0 | None | -2 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| CHEMBL1172376 | 14365 | 0 | None | -2 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| CHEMBL1200171 | 14365 | 0 | None | -2 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| 4475102 | 53500 | 26 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 432 | 3 | 7 | 10 | 0.1 | O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12 | nan | ||
| CHEMBL1601394 | 53500 | 26 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 432 | 3 | 7 | 10 | 0.1 | O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12 | nan | ||
| 1887804 | 112612 | 5 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 396 | 3 | 1 | 5 | 4.3 | O=c1/c(=C\c2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 | nan | ||
| CHEMBL3207339 | 112612 | 5 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 396 | 3 | 1 | 5 | 4.3 | O=c1/c(=C\c2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 | nan | ||
| CHEMBL3302244 | 112612 | 5 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 396 | 3 | 1 | 5 | 4.3 | O=c1/c(=C\c2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 | nan | ||
| 87215 | 55997 | 2 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 400 | 4 | 1 | 1 | 6.7 | Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
| CHEMBL1552591 | 55997 | 2 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 400 | 4 | 1 | 1 | 6.7 | Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
| CHEMBL1624440 | 55997 | 2 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 400 | 4 | 1 | 1 | 6.7 | Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
| 42601134 | 59604 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 403 | 8 | 1 | 5 | 6.4 | CCCCNc1c(-c2cccc(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| CHEMBL1719236 | 59604 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 403 | 8 | 1 | 5 | 6.4 | CCCCNc1c(-c2cccc(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| CHEMBL3196955 | 59604 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 403 | 8 | 1 | 5 | 6.4 | CCCCNc1c(-c2cccc(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| 145975635 | 163786 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4205887 | 163786 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 118708057 | 113303 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.1 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cccc4ccccc34)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315222 | 113303 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.1 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cccc4ccccc34)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 145964771 | 164195 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4210760 | 164195 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145970755 | 164780 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4218115 | 164780 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 2361995 | 49267 | 6 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 500 | 6 | 3 | 4 | 5.7 | Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 | nan | ||
| CHEMBL1563110 | 49267 | 6 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 500 | 6 | 3 | 4 | 5.7 | Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 | nan | ||
| 2136878 | 50947 | 12 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 413 | 5 | 0 | 5 | 5.4 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC | nan | ||
| CHEMBL1577981 | 50947 | 12 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 413 | 5 | 0 | 5 | 5.4 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC | nan | ||
| 2233014 | 38965 | 9 | None | -16 | 5 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 429 | 7 | 1 | 6 | 4.9 | COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC | nan | ||
| CHEMBL1467999 | 38965 | 9 | None | -16 | 5 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 429 | 7 | 1 | 6 | 4.9 | COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC | nan | ||
| 49837912 | 104292 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099773 | 104292 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 49837912 | 104292 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3099773 | 104292 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2014.06.033 | ||
| 145974670 | 164638 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4216311 | 164638 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145974670 | 164638 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4216311 | 164638 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 653059 | 25012 | 2 | None | -3 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 4 | 1 | 5 | 4.7 | Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CC(C)N2C(=O)C1CC1 | nan | ||
| CHEMBL1346595 | 25012 | 2 | None | -3 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 4 | 1 | 5 | 4.7 | Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CC(C)N2C(=O)C1CC1 | nan | ||
| 5360807 | 37226 | 39 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 590 | 13 | 4 | 7 | 5.8 | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C | nan | ||
| CHEMBL145347 | 37226 | 39 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 590 | 13 | 4 | 7 | 5.8 | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C | nan | ||
| CHEMBL1489769 | 37226 | 39 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 590 | 13 | 4 | 7 | 5.8 | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C | nan | ||
| 800455 | 47190 | 18 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 327 | 3 | 2 | 4 | 5.1 | Cc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 | nan | ||
| CHEMBL1543298 | 47190 | 18 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 327 | 3 | 2 | 4 | 5.1 | Cc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 | nan | ||
| 145964771 | 164195 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4210760 | 164195 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 1574 | 2809 | 20 | None | -26 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 1579 | 2809 | 20 | None | -26 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 25077406 | 2809 | 20 | None | -26 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 3830 | 2809 | 20 | None | -26 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| CHEMBL407196 | 2809 | 20 | None | -26 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 3237758 | 25214 | 11 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 390 | 3 | 1 | 5 | 4.7 | O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc2c(c1)OCCO2 | nan | ||
| CHEMBL1348181 | 25214 | 11 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 390 | 3 | 1 | 5 | 4.7 | O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc2c(c1)OCCO2 | nan | ||
| 5894133 | 31030 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 314 | 6 | 0 | 6 | 2.9 | COc1cc(C(=O)/C=C/c2cccnc2)c([N+](=O)[O-])cc1OC | nan | ||
| CHEMBL1399212 | 31030 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 314 | 6 | 0 | 6 | 2.9 | COc1cc(C(=O)/C=C/c2cccnc2)c([N+](=O)[O-])cc1OC | nan | ||
| 16196393 | 41499 | 0 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 575 | 9 | 3 | 7 | 3.6 | CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 | nan | ||
| CHEMBL1490916 | 41499 | 0 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 575 | 9 | 3 | 7 | 3.6 | CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 | nan | ||
| 24891821 | 55687 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 433 | 9 | 1 | 6 | 6.4 | CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| CHEMBL1444683 | 55687 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 433 | 9 | 1 | 6 | 6.4 | CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| CHEMBL1621881 | 55687 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 433 | 9 | 1 | 6 | 6.4 | CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| 118708038 | 113296 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cncc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315203 | 113296 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cncc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 118708034 | 113292 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.1 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315199 | 113292 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.1 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 6552076 | 19730 | 1 | None | -9 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 487 | 4 | 0 | 7 | 4.5 | COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 | nan | ||
| CHEMBL1301125 | 19730 | 1 | None | -9 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 487 | 4 | 0 | 7 | 4.5 | COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 | nan | ||
| 118708056 | 113302 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cnc4ccccc4c3)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315221 | 113302 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cnc4ccccc4c3)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 3816756 | 55102 | 8 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 373 | 5 | 0 | 3 | 3.7 | O=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1 | nan | ||
| CHEMBL1372112 | 55102 | 8 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 373 | 5 | 0 | 3 | 3.7 | O=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1 | nan | ||
| CHEMBL1616855 | 55102 | 8 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 373 | 5 | 0 | 3 | 3.7 | O=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1 | nan | ||
| 7634362 | 22259 | 8 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 393 | 7 | 3 | 7 | 1.8 | CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C | nan | ||
| CHEMBL1323442 | 22259 | 8 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 393 | 7 | 3 | 7 | 1.8 | CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C | nan | ||
| 1181160 | 60009 | 16 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 370 | 3 | 0 | 4 | 4.9 | CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)C1 | nan | ||
| CHEMBL1734949 | 60009 | 16 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 370 | 3 | 0 | 4 | 4.9 | CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)C1 | nan | ||
| 145966676 | 164248 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4211344 | 164248 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 1345509 | 45531 | 24 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 5.5 | CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)C1 | nan | ||
| CHEMBL1528569 | 45531 | 24 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 5.5 | CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)C1 | nan | ||
| 2136899 | 20664 | 12 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 431 | 5 | 0 | 5 | 5.5 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC | nan | ||
| CHEMBL1308657 | 20664 | 12 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 431 | 5 | 0 | 5 | 5.5 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC | nan | ||
| 1388911 | 53321 | 11 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 400 | 5 | 0 | 7 | 3.1 | COc1ccc(-n2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)cc1 | nan | ||
| CHEMBL1599740 | 53321 | 11 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 400 | 5 | 0 | 7 | 3.1 | COc1ccc(-n2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)cc1 | nan | ||
| 145975635 | 163786 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4205887 | 163786 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 1400670 | 24750 | 8 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 392 | 3 | 1 | 6 | 4.3 | Clc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1 | nan | ||
| CHEMBL1344250 | 24750 | 8 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 392 | 3 | 1 | 6 | 4.3 | Clc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1 | nan | ||
| 1224762 | 41424 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 363 | 4 | 1 | 7 | 3.4 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1 | nan | ||
| CHEMBL1490404 | 41424 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 363 | 4 | 1 | 7 | 3.4 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1 | nan | ||
| 3799752 | 26331 | 8 | None | -3 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 397 | 6 | 2 | 6 | 2.4 | COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(Cc3ccccc3)C2=O)c1 | nan | ||
| CHEMBL1358861 | 26331 | 8 | None | -3 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 397 | 6 | 2 | 6 | 2.4 | COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(Cc3ccccc3)C2=O)c1 | nan | ||
| 1040545 | 54647 | 6 | None | 2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 353 | 10 | 0 | 8 | 1.8 | CCOC(=O)COc1ccc(/C=C/[N+](=O)[O-])c(OCC(=O)OCC)c1 | nan | ||
| CHEMBL1611170 | 54647 | 6 | None | 2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 353 | 10 | 0 | 8 | 1.8 | CCOC(=O)COc1ccc(/C=C/[N+](=O)[O-])c(OCC(=O)OCC)c1 | nan | ||
| 145972052 | 164518 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4214816 | 164518 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 678138 | 53359 | 19 | None | 6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 303 | 4 | 2 | 4 | 1.4 | CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 | nan | ||
| CHEMBL1600146 | 53359 | 19 | None | 6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 303 | 4 | 2 | 4 | 1.4 | CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 | nan | ||
| 1325215 | 39280 | 6 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 364 | 5 | 1 | 3 | 3.1 | O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 | nan | ||
| CHEMBL1470682 | 39280 | 6 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 364 | 5 | 1 | 3 | 3.1 | O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 | nan | ||
| 145974670 | 164638 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4216311 | 164638 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 1257866 | 39011 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 419 | 5 | 2 | 7 | 2.2 | O=C1NC(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N1 | nan | ||
| CHEMBL1468368 | 39011 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 419 | 5 | 2 | 7 | 2.2 | O=C1NC(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N1 | nan | ||
| 2547793 | 46880 | 5 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 483 | 7 | 0 | 6 | 5.1 | CCc1cccc(CC)c1-n1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccnc1 | nan | ||
| CHEMBL1540679 | 46880 | 5 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 483 | 7 | 0 | 6 | 5.1 | CCc1cccc(CC)c1-n1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccnc1 | nan | ||
| 2060089 | 19577 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 2.4 | C/C(=C\c1ccc(N(C)C)cc1)[N+](=O)[O-] | nan | ||
| CHEMBL1299997 | 19577 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 2.4 | C/C(=C\c1ccc(N(C)C)cc1)[N+](=O)[O-] | nan | ||
| 145966776 | 164436 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4213725 | 164436 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 118708048 | 113301 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 4.7 | O=C(Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315213 | 113301 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 4.7 | O=C(Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL508338 | 188966 | 0 | None | -47 | 15 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | None | nan | ||||
| 118708037 | 113295 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4cnccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315202 | 113295 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4cnccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 155569737 | 176635 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4457798 | 176635 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4597941 | 176635 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 145972052 | 164518 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4214816 | 164518 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 6001017 | 47556 | 4 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 334 | 3 | 1 | 5 | 3.5 | CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 | nan | ||
| CHEMBL1546134 | 47556 | 4 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 334 | 3 | 1 | 5 | 3.5 | CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 | nan | ||
| 118708044 | 113300 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 439 | 7 | 2 | 6 | 4.3 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)c1nn[nH]n1 | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315209 | 113300 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 439 | 7 | 2 | 6 | 4.3 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)c1nn[nH]n1 | 10.1016/j.bmcl.2014.06.033 | ||
| 145970755 | 164780 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4218115 | 164780 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145977513 | 163566 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4203162 | 163566 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 1489267 | 194673 | 15 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 495 | 8 | 1 | 7 | 5.8 | COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl | nan | ||
| CHEMBL532160 | 194673 | 15 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 495 | 8 | 1 | 7 | 5.8 | COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl | nan | ||
| 145975635 | 163786 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4205887 | 163786 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 16745378 | 46569 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 462 | 10 | 3 | 5 | 3.8 | CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OCc1ccccc1 | nan | ||
| CHEMBL1538066 | 46569 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 462 | 10 | 3 | 5 | 3.8 | CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OCc1ccccc1 | nan | ||
| 145966676 | 164248 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4211344 | 164248 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 118708036 | 113294 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 458 | 8 | 3 | 5 | 4.1 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NC(=O)c3ccnc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315201 | 113294 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 458 | 8 | 3 | 5 | 4.1 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NC(=O)c3ccnc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 145976418 | 163886 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206981 | 163886 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 44572618 | 188981 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL508507 | 188981 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||
| 2136935 | 52275 | 13 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 0 | 6 | 5.4 | COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1 | nan | ||
| CHEMBL1589062 | 52275 | 13 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 0 | 6 | 5.4 | COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1 | nan | ||
| 2136882 | 19987 | 8 | None | -7 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 413 | 5 | 0 | 5 | 5.4 | COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccccc3F)c2cc1OC | nan | ||
| CHEMBL1303193 | 19987 | 8 | None | -7 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 413 | 5 | 0 | 5 | 5.4 | COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccccc3F)c2cc1OC | nan | ||
| 12005285 | 53064 | 6 | None | -3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 8 | 1 | 9 | 4.0 | CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-] | nan | ||
| CHEMBL1597454 | 53064 | 6 | None | -3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 8 | 1 | 9 | 4.0 | CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-] | nan | ||
| 1274511 | 47696 | 9 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 8 | 0 | 8 | 2.9 | COC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OC | nan | ||
| CHEMBL1547420 | 47696 | 9 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 8 | 0 | 8 | 2.9 | COC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OC | nan | ||
| 44572617 | 188797 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL505906 | 188797 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 44572621 | 188253 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL499673 | 188253 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 1254872 | 21140 | 12 | None | 3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 449 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cc2ccccc2o1 | nan | ||
| CHEMBL1312502 | 21140 | 12 | None | 3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 449 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cc2ccccc2o1 | nan | ||
| 1230852 | 36342 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 434 | 6 | 0 | 7 | 4.3 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | nan | ||
| CHEMBL1446377 | 36342 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 434 | 6 | 0 | 7 | 4.3 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | nan | ||
| 1077240 | 22817 | 11 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 436 | 5 | 0 | 8 | 4.9 | Cc1cc(C)n(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| CHEMBL1328169 | 22817 | 11 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 436 | 5 | 0 | 8 | 4.9 | Cc1cc(C)n(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| 2199612 | 51943 | 8 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 4.3 | Cc1cc(C)c2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2 | nan | ||
| CHEMBL1586252 | 51943 | 8 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 4.3 | Cc1cc(C)c2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2 | nan | ||
| 145967420 | 164280 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4211866 | 164280 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 6211977 | 52715 | 3 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 370 | 4 | 2 | 7 | 3.8 | CCOC(=O)/C(=C\c1cccc(O)c1)c1nc(O)c2c(C)c(C)sc2n1 | nan | ||
| CHEMBL1594369 | 52715 | 3 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 370 | 4 | 2 | 7 | 3.8 | CCOC(=O)/C(=C\c1cccc(O)c1)c1nc(O)c2c(C)c(C)sc2n1 | nan | ||
| 145970755 | 164780 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4218115 | 164780 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 135548673 | 72895 | 8 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 6 | 2 | 7 | 3.2 | CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3)n2)cc1 | nan | ||
| CHEMBL2003819 | 72895 | 8 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 6 | 2 | 7 | 3.2 | CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3)n2)cc1 | nan | ||
| 45490651 | 113287 | 11 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 288 | 6 | 2 | 3 | 2.3 | CC(C)C[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315194 | 113287 | 11 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 288 | 6 | 2 | 3 | 2.3 | CC(C)C[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 5334257 | 108898 | 9 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 511 | 11 | 1 | 8 | 2.6 | COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 | nan | ||
| CHEMBL3210863 | 108898 | 9 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 511 | 11 | 1 | 8 | 2.6 | COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 | nan | ||
| 1919229 | 199062 | 9 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 314 | 8 | 1 | 2 | 5.1 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 | nan | ||
| CHEMBL1613675 | 199062 | 9 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 314 | 8 | 1 | 2 | 5.1 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 | nan | ||
| CHEMBL586602 | 199062 | 9 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 314 | 8 | 1 | 2 | 5.1 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 | nan | ||
| 5919900 | 48054 | 16 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 273 | 2 | 0 | 3 | 3.6 | N#CC1=C(c2ccccc2)/C(=C/c2ccccc2)OC1=O | nan | ||
| CHEMBL1550591 | 48054 | 16 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 273 | 2 | 0 | 3 | 3.6 | N#CC1=C(c2ccccc2)/C(=C/c2ccccc2)OC1=O | nan | ||
| 8259799 | 40575 | 3 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 406 | 4 | 2 | 4 | 5.8 | O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 | nan | ||
| CHEMBL1483562 | 40575 | 3 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 406 | 4 | 2 | 4 | 5.8 | O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 | nan | ||
| 44157038 | 188939 | 16 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL508044 | 188939 | 16 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| 145976898 | 163832 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163832 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 44572620 | 173858 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL453924 | 173858 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL501575 | 214139 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 44572619 | 172218 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL447400 | 172218 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||
| 6532771 | 71768 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 496 | 8 | 1 | 8 | 1.5 | CCOC(=O)/C=c1\s/c(=C\c2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCC1CCCO1 | nan | ||
| CHEMBL1966869 | 71768 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 496 | 8 | 1 | 8 | 1.5 | CCOC(=O)/C=c1\s/c(=C\c2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCC1CCCO1 | nan | ||
| 4081288 | 35439 | 5 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 335 | 5 | 1 | 7 | 3.8 | CC(C)c1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1 | nan | ||
| CHEMBL1438069 | 35439 | 5 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 335 | 5 | 1 | 7 | 3.8 | CC(C)c1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1 | nan | ||
| 145967420 | 164280 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4211866 | 164280 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 118708058 | 113304 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cncc4ccccc34)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315223 | 113304 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cncc4ccccc34)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 5193534 | 56193 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 398 | 4 | 0 | 0 | 7.3 | Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccccc2)cc1 | nan | ||
| CHEMBL1611686 | 56193 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 398 | 4 | 0 | 0 | 7.3 | Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccccc2)cc1 | nan | ||
| CHEMBL1626297 | 56193 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 398 | 4 | 0 | 0 | 7.3 | Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccccc2)cc1 | nan | ||
| 5733602 | 52811 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 321 | 2 | 0 | 4 | 4.6 | CC1=NOC(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
| CHEMBL1595121 | 52811 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 321 | 2 | 0 | 4 | 4.6 | CC1=NOC(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
| 1547875 | 37276 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 369 | 4 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)cc1 | nan | ||
| CHEMBL1453900 | 37276 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 369 | 4 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)cc1 | nan | ||
| 11957208 | 56200 | 3 | None | -10 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C | nan | ||
| CHEMBL1340713 | 56200 | 3 | None | -10 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C | nan | ||
| CHEMBL1626334 | 56200 | 3 | None | -10 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C | nan | ||
| CHEMBL500734 | 214123 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| 118708039 | 113297 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 8 | 3 | 5 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(Nc3ccc4cnccc4c3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315204 | 113297 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 8 | 3 | 5 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(Nc3ccc4cnccc4c3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 44572627 | 188285 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL500173 | 188285 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 1077243 | 38163 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 1 | 8 | 3.5 | Cc1cc(C)n(-c2nc(Nc3ccccc3C)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| CHEMBL1461496 | 38163 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 1 | 8 | 3.5 | Cc1cc(C)n(-c2nc(Nc3ccccc3C)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| 1619531 | 29840 | 9 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 0 | 6 | 4.5 | Cc1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1387563 | 29840 | 9 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 0 | 6 | 4.5 | Cc1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)c([N+](=O)[O-])c1 | nan | ||
| 1504002 | 22049 | 4 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 221 | 1 | 1 | 2 | 2.5 | Nc1ccccc1C#CC(=O)c1ccccc1 | nan | ||
| CHEMBL1321527 | 22049 | 4 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 221 | 1 | 1 | 2 | 2.5 | Nc1ccccc1C#CC(=O)c1ccccc1 | nan | ||
| 4602677 | 29545 | 12 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 309 | 3 | 1 | 5 | 3.4 | CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 | nan | ||
| CHEMBL1385214 | 29545 | 12 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 309 | 3 | 1 | 5 | 3.4 | CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 | nan | ||
| 787747 | 27569 | 10 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 299 | 2 | 1 | 4 | 3.4 | O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(O)cc1 | nan | ||
| CHEMBL1369296 | 27569 | 10 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 299 | 2 | 1 | 4 | 3.4 | O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(O)cc1 | nan | ||
| 6122140 | 48094 | 4 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 358 | 4 | 1 | 2 | 5.6 | O=C(/C(=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1)c1ccccc1 | nan | ||
| CHEMBL1550862 | 48094 | 4 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 358 | 4 | 1 | 2 | 5.6 | O=C(/C(=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1)c1ccccc1 | nan | ||
| 9607375 | 72664 | 8 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 376 | 6 | 1 | 7 | 3.1 | CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1 | nan | ||
| CHEMBL1995726 | 72664 | 8 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 376 | 6 | 1 | 7 | 3.1 | CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1 | nan | ||
| 2971598 | 54330 | 12 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 349 | 3 | 3 | 3 | 3.8 | O=C(CC1Nc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1 | nan | ||
| CHEMBL1608453 | 54330 | 12 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 349 | 3 | 3 | 3 | 3.8 | O=C(CC1Nc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1 | nan | ||
| 2538553 | 42824 | 6 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 451 | 5 | 0 | 8 | 5.1 | Cc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCCCC5=O)o4)c23)cc1 | nan | ||
| CHEMBL1502512 | 42824 | 6 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 451 | 5 | 0 | 8 | 5.1 | Cc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCCCC5=O)o4)c23)cc1 | nan | ||
| 3092513 | 56100 | 3 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 449 | 7 | 0 | 4 | 5.4 | Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)OC2CC(C)CCC2C(C)C)c1 | nan | ||
| CHEMBL1586169 | 56100 | 3 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 449 | 7 | 0 | 4 | 5.4 | Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)OC2CC(C)CCC2C(C)C)c1 | nan | ||
| CHEMBL1625353 | 56100 | 3 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 449 | 7 | 0 | 4 | 5.4 | Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)OC2CC(C)CCC2C(C)C)c1 | nan | ||
| 4576185 | 41833 | 13 | None | -8 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 413 | 7 | 1 | 9 | 3.3 | COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 | nan | ||
| CHEMBL1493442 | 41833 | 13 | None | -8 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 413 | 7 | 1 | 9 | 3.3 | COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 | nan | ||
| 16114081 | 177388 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL463811 | 177388 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 145976898 | 163832 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163832 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 5662106 | 22514 | 8 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 257 | 4 | 0 | 4 | 2.8 | CN(C)c1ccc(-n2cccc2/C=C/[N+](=O)[O-])cc1 | nan | ||
| CHEMBL1325640 | 22514 | 8 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 257 | 4 | 0 | 4 | 2.8 | CN(C)c1ccc(-n2cccc2/C=C/[N+](=O)[O-])cc1 | nan | ||
| 2281759 | 23067 | 8 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 4.1 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1 | nan | ||
| CHEMBL1330390 | 23067 | 8 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 4.1 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1 | nan | ||
| 4353821 | 53331 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 409 | 7 | 1 | 6 | 3.1 | CCCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C | nan | ||
| CHEMBL1599800 | 53331 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 409 | 7 | 1 | 6 | 3.1 | CCCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C | nan | ||
| 145967420 | 164280 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4211866 | 164280 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 3350604 | 38571 | 5 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 434 | 9 | 1 | 7 | 2.3 | CC(CCc1ccccc1)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1464832 | 38571 | 5 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 434 | 9 | 1 | 7 | 2.3 | CC(CCc1ccccc1)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 | nan | ||
| 118708035 | 113293 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 493 | 9 | 3 | 5 | 4.2 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315200 | 113293 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 493 | 9 | 3 | 5 | 4.2 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 2848959 | 22856 | 20 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 2 | 0 | 4 | 3.1 | COc1cc2c(cc1OC)C(SC)=NC(C)(C)C2 | nan | ||
| CHEMBL1328520 | 22856 | 20 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 2 | 0 | 4 | 3.1 | COc1cc2c(cc1OC)C(SC)=NC(C)(C)C2 | nan | ||
| 5346304 | 40670 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 313 | 6 | 0 | 5 | 3.5 | COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OC | nan | ||
| CHEMBL1484272 | 40670 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 313 | 6 | 0 | 5 | 3.5 | COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OC | nan | ||
| 118708032 | 113290 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 364 | 7 | 2 | 3 | 3.9 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3ccccc3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315197 | 113290 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 364 | 7 | 2 | 3 | 3.9 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3ccccc3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 887759 | 51628 | 8 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 243 | 4 | 0 | 3 | 3.5 | CCOc1ccc(/C=C/[N+](=O)[O-])c2ccccc12 | nan | ||
| CHEMBL1583665 | 51628 | 8 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 243 | 4 | 0 | 3 | 3.5 | CCOc1ccc(/C=C/[N+](=O)[O-])c2ccccc12 | nan | ||
| 25110544 | 41397 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 377 | 3 | 3 | 6 | 4.9 | N#Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1C(F)(F)F | nan | ||
| CHEMBL1490267 | 41397 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 377 | 3 | 3 | 6 | 4.9 | N#Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1C(F)(F)F | nan | ||
| 145976418 | 163886 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206981 | 163886 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 145976418 | 163886 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206981 | 163886 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 1547881 | 50845 | 2 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 399 | 6 | 3 | 6 | 4.2 | CCOc1ccc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)cc1 | nan | ||
| CHEMBL1577072 | 50845 | 2 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 399 | 6 | 3 | 6 | 4.2 | CCOc1ccc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)cc1 | nan | ||
| 4112227 | 33483 | 10 | None | -2 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 392 | 3 | 0 | 7 | 4.0 | Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 | nan | ||
| CHEMBL1420175 | 33483 | 10 | None | -2 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 392 | 3 | 0 | 7 | 4.0 | Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 | nan | ||
| 4898241 | 38166 | 5 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 527 | 3 | 2 | 4 | 5.4 | CCc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12 | nan | ||
| CHEMBL1461508 | 38166 | 5 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 527 | 3 | 2 | 4 | 5.4 | CCc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12 | nan | ||
| 661231 | 31963 | 10 | None | 2 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 3 | 0 | 6 | 3.8 | Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1 | nan | ||
| CHEMBL1407659 | 31963 | 10 | None | 2 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 3 | 0 | 6 | 3.8 | Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1 | nan | ||
| 44157039 | 177029 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL463227 | 177029 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| 2295300 | 36418 | 10 | None | -7 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 356 | 8 | 1 | 5 | 3.7 | CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C | nan | ||
| CHEMBL1446971 | 36418 | 10 | None | -7 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 356 | 8 | 1 | 5 | 3.7 | CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C | nan | ||
| 56723766 | 113288 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 6 | 2 | 3 | 3.0 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315195 | 113288 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 6 | 2 | 3 | 3.0 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 44581036 | 187900 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| CHEMBL496585 | 187900 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| 4308 | 101093 | 53 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 353 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| CHEMBL294989 | 101093 | 53 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 353 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| 1580 | 3665 | 46 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.06.033 | ||
| 5311451 | 3665 | 46 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.06.033 | ||
| 1574 | 2809 | 20 | None | -26 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 1579 | 2809 | 20 | None | -26 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 25077406 | 2809 | 20 | None | -26 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 3830 | 2809 | 20 | None | -26 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| CHEMBL407196 | 2809 | 20 | None | -26 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 119192 | 2481 | 54 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.06.033 | ||
| 1582 | 2481 | 54 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL506981 | 2481 | 54 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.06.033 | ||
| DB06455 | 2481 | 54 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL2310906 | 209499 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | ||||
| 1576 | 2275 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 11811984 | ||||
| 5307 | 226 | 0 | None | - | 1 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 20481538 | ||||
| 5307 | 226 | 0 | None | - | 1 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 30986796 | ||||
| 119192 | 2481 | 54 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9023294 | ||
| 1582 | 2481 | 54 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9023294 | ||
| CHEMBL506981 | 2481 | 54 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9023294 | ||
| DB06455 | 2481 | 54 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9023294 | ||
| 5306 | 2185 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 16095636 | ||||
| 46866109 | 225 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 22459147 | ||||
| 46866109 | 225 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 31770520 | ||||
| 5308 | 225 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 22459147 | ||||
| 5308 | 225 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 31770520 | ||||
| CHEMBL1170625 | 225 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 22459147 | ||||
| CHEMBL1170625 | 225 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 31770520 | ||||
| 1577 | 2278 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 11811984 | ||||
| 1580 | 3665 | 46 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9023294 | ||
| 5311451 | 3665 | 46 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9023294 | ||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9023294 | ||
| 1575 | 1165 | 0 | None | -1 | 3 | Human | 6.0 | pIC50 | None | 6 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1575 | 1165 | 0 | None | 1 | 3 | Rat | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 101205709 | 3814 | 0 | None | -3 | 3 | Rat | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1573 | 3814 | 0 | None | -3 | 3 | Rat | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 101205709 | 3814 | 0 | None | 3 | 3 | Human | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1573 | 3814 | 0 | None | 3 | 3 | Human | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 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 |
| 644241 | 95186 | 121 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 529 | 6 | 2 | 7 | 6.4 | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL255863 | 95186 | 121 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 529 | 6 | 2 | 7 | 6.4 | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 | 10.1038/s41467-023-40064-9 | |||
| 2519 | 779 | 86 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| 407 | 779 | 86 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| 463 | 779 | 86 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL113 | 779 | 86 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| DB00201 | 779 | 86 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| 2997 | 193151 | 35 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 270 | 1 | 1 | 2 | 3.1 | O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL523 | 193151 | 35 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 270 | 1 | 1 | 2 | 3.1 | O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 | 10.1038/s41467-023-40064-9 | |||
| 8730 | 195891 | 72 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 90657408 | 195891 | 72 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL559 | 195891 | 72 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 5411 | 204033 | 89 | None | - | 2 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL698 | 204033 | 89 | None | - | 2 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3622803 | 211882 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 1569 | 2126 | 32 | None | - | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| 5311318 | 2126 | 32 | None | - | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL415788 | 2126 | 32 | None | - | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL3622802 | 211881 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL3622802 | 211881 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL3622802 | 211881 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| 16127648 | 14365 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | |||
| CHEMBL1172376 | 14365 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | |||
| CHEMBL1200171 | 14365 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | |||
| 1580 | 3665 | 46 | None | 1 | 4 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| 5311451 | 3665 | 46 | None | 1 | 4 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 4 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| 53245521 | 92403 | 1 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1ccc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 | 10.1021/ml400176n | |||
| CHEMBL2431125 | 92403 | 1 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1ccc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 | 10.1021/ml400176n | |||
| 118610278 | 169510 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 430 | 7 | 0 | 5 | 5.7 | CCCN(C)c1ccc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4434705 | 169510 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 430 | 7 | 0 | 5 | 5.7 | CCCN(C)c1ccc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118617781 | 175187 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4570744 | 175187 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 90237596 | 172149 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 4.9 | COc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2cc1OC | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4473181 | 172149 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 4.9 | COc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2cc1OC | 10.1021/acs.jmedchem.9b00340 | |||
| 118610372 | 171960 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.7 | COc1ccccc1C1CCN(c2nc(C3CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4470647 | 171960 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.7 | COc1ccccc1C1CCN(c2nc(C3CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610470 | 170706 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 464 | 8 | 0 | 6 | 5.1 | COCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4451959 | 170706 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 464 | 8 | 0 | 6 | 5.1 | COCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL3622803 | 211882 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 90237648 | 176175 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 8 | 0 | 6 | 5.0 | COCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4593175 | 176175 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 8 | 0 | 6 | 5.0 | COCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| 51035368 | 92468 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431231 | 92468 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 52914819 | 92471 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 438 | 5 | 0 | 6 | 4.9 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431234 | 92471 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 438 | 5 | 0 | 6 | 4.9 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 118617733 | 169736 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(C)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4438479 | 169736 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(C)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610427 | 175436 | 25 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4576388 | 175436 | 25 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 53245615 | 92393 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 4.6 | COc1cc2nc(Cc3ccccc3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431114 | 92393 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 4.6 | COc1cc2nc(Cc3ccccc3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 56593284 | 92401 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 3.9 | COc1cc2nc(CC3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431122 | 92401 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 3.9 | COc1cc2nc(CC3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 118617715 | 169873 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 5.8 | CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4440438 | 169873 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 5.8 | CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118617724 | 169749 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 460 | 7 | 1 | 6 | 4.9 | COc1ccccc1C1CCN(c2nc(C3(C)CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4438637 | 169749 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 460 | 7 | 1 | 6 | 4.9 | COc1ccccc1C1CCN(c2nc(C3(C)CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 56593282 | 92397 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 436 | 7 | 0 | 7 | 4.2 | COc1cc2nc(CC(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431118 | 92397 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 436 | 7 | 0 | 7 | 4.2 | COc1cc2nc(CC(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 51035373 | 92469 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 4.6 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4C)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431232 | 92469 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 4.6 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4C)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 118610338 | 172949 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4517098 | 172949 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610426 | 173992 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(F)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4542358 | 173992 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(F)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL3622801 | 211880 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 54758538 | 92395 | 1 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 422 | 7 | 0 | 7 | 3.9 | CCCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | |||
| CHEMBL2431116 | 92395 | 1 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 422 | 7 | 0 | 7 | 3.9 | CCCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | |||
| 73349346 | 92473 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 5.0 | CCOc1cc2c(N3CCN(c4cccc(OC)c4)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431236 | 92473 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 5.0 | CCOc1cc2c(N3CCN(c4cccc(OC)c4)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| 118617570 | 175249 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 519 | 8 | 0 | 7 | 4.7 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4572231 | 175249 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 519 | 8 | 0 | 7 | 4.7 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 52914822 | 92470 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 422 | 5 | 0 | 6 | 4.4 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431233 | 92470 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 422 | 5 | 0 | 6 | 4.4 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 162673667 | 183101 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2214 | 71 | 33 | 31 | -6.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1039/d0md00173b | |||
| CHEMBL4794546 | 183101 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2214 | 71 | 33 | 31 | -6.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1039/d0md00173b | |||
| 53245590 | 92399 | 43 | None | - | 4 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431120 | 92399 | 43 | None | - | 4 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 49837912 | 104292 | 3 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099773 | 104292 | 3 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 56593272 | 92409 | 1 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 424 | 5 | 0 | 6 | 4.5 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431131 | 92409 | 1 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 424 | 5 | 0 | 6 | 4.5 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 4679731 | 92410 | 8 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 456 | 6 | 0 | 7 | 4.6 | COc1cc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431133 | 92410 | 8 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 456 | 6 | 0 | 7 | 4.6 | COc1cc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL3622805 | 211884 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL3622803 | 211882 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 118617949 | 171660 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(Cl)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4466155 | 171660 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(Cl)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118617631 | 175903 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 460 | 8 | 0 | 6 | 5.2 | COCCN(C)c1ccc2nc(C3(C)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4586953 | 175903 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 460 | 8 | 0 | 6 | 5.2 | COCCN(C)c1ccc2nc(C3(C)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| 50919376 | 104289 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 4.9 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099769 | 104289 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 4.9 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 53245626 | 92405 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 374 | 4 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(c2nc(C3CCC3)nc3ccccc23)CC1 | 10.1021/ml400176n | |||
| CHEMBL2431127 | 92405 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 374 | 4 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(c2nc(C3CCC3)nc3ccccc23)CC1 | 10.1021/ml400176n | |||
| 73350917 | 92475 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 500 | 8 | 0 | 8 | 5.0 | CCOc1cc2c(N3CCN(c4ccc(OC)cc4OC)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431238 | 92475 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 500 | 8 | 0 | 8 | 5.0 | CCOc1cc2c(N3CCN(c4ccc(OC)cc4OC)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| 56593291 | 92388 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 418 | 6 | 0 | 6 | 4.2 | COc1cc2nc(C3CC3)nc(N3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431106 | 92388 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 418 | 6 | 0 | 6 | 4.2 | COc1cc2nc(C3CC3)nc(N3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL3622801 | 211880 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 1230851 | 33124 | 3 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 405 | 5 | 0 | 7 | 3.6 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccn4)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL1417160 | 33124 | 3 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 405 | 5 | 0 | 7 | 3.6 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccn4)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 56593281 | 92402 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 598 | 10 | 0 | 10 | 4.4 | COc1cc2nc(CCN3CCN(c4ccccc4OC)CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431124 | 92402 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 598 | 10 | 0 | 10 | 4.4 | COc1cc2nc(CCN3CCN(c4ccccc4OC)CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 118610423 | 170907 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 4.8 | COc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4454815 | 170907 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 4.8 | COc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610386 | 171306 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 472 | 6 | 0 | 6 | 5.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)CC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4460973 | 171306 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 472 | 6 | 0 | 6 | 5.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)CC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 53245590 | 92399 | 43 | None | - | 4 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL2431120 | 92399 | 43 | None | - | 4 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/acs.jmedchem.9b00340 | |||
| 53245542 | 92404 | 1 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1ccc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CCC3)nc2c1 | 10.1021/ml400176n | |||
| CHEMBL2431126 | 92404 | 1 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1ccc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CCC3)nc2c1 | 10.1021/ml400176n | |||
| 118617560 | 170791 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 5.9 | CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1F | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4453074 | 170791 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 5.9 | CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1F | 10.1021/acs.jmedchem.9b00340 | |||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2013.11.026 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2013.11.026 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2013.11.026 | |||
| 90237301 | 172272 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 515 | 8 | 0 | 7 | 4.8 | COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4474648 | 172272 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 515 | 8 | 0 | 7 | 4.8 | COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610411 | 171831 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 500 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4468649 | 171831 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 500 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610427 | 175436 | 25 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4576388 | 175436 | 25 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 53245574 | 92406 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 418 | 4 | 0 | 7 | 4.0 | COc1ccccc1N1CCN(c2nc(C3CCC3)nc3cc4c(cc23)OCO4)CC1 | 10.1021/ml400176n | |||
| CHEMBL2431128 | 92406 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 418 | 4 | 0 | 7 | 4.0 | COc1ccccc1N1CCN(c2nc(C3CCC3)nc3cc4c(cc23)OCO4)CC1 | 10.1021/ml400176n | |||
| 53245590 | 92399 | 43 | None | - | 4 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431120 | 92399 | 43 | None | - | 4 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 56593288 | 92389 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 3.9 | COc1ccccc1CN1CCN(c2nc(C3CC3)nc3cc(OC)c(OC)cc23)CC1 | 10.1021/ml400176n | |||
| CHEMBL2431107 | 92389 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 3.9 | COc1ccccc1CN1CCN(c2nc(C3CC3)nc3cc(OC)c(OC)cc23)CC1 | 10.1021/ml400176n | |||
| 50919365 | 104296 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.3 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2ccccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099777 | 104296 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.3 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2ccccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 118617792 | 170425 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 569 | 8 | 0 | 7 | 5.4 | COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4448328 | 170425 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 569 | 8 | 0 | 7 | 5.4 | COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610255 | 169675 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 460 | 7 | 1 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CCCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4437603 | 169675 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 460 | 7 | 1 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CCCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL3622805 | 211884 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 56593278 | 92407 | 1 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 6 | 3.9 | COc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 | 10.1021/ml400176n | |||
| CHEMBL2431129 | 92407 | 1 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 6 | 3.9 | COc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 | 10.1021/ml400176n | |||
| 118610246 | 171557 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 468 | 7 | 1 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4464635 | 171557 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 468 | 7 | 1 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 56593293 | 92394 | 1 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 408 | 6 | 0 | 7 | 3.5 | CCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | |||
| CHEMBL2431115 | 92394 | 1 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 408 | 6 | 0 | 7 | 3.5 | CCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | |||
| 118617787 | 170361 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](O)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4447601 | 170361 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](O)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 56593289 | 92390 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 3.5 | COc1cc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431108 | 92390 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 3.5 | COc1cc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 73355398 | 92474 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 5.0 | CCOc1cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431237 | 92474 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 5.0 | CCOc1cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| 50919370 | 104290 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099771 | 104290 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 90237403 | 173670 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 432 | 7 | 1 | 6 | 4.3 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4534863 | 173670 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 432 | 7 | 1 | 6 | 4.3 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610402 | 170232 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(Cl)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4445632 | 170232 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(Cl)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 50919363 | 104287 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 530 | 7 | 2 | 5 | 6.3 | CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c(-c2c(Cl)cccc2Cl)n1)C(=O)O | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099767 | 104287 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 530 | 7 | 2 | 5 | 6.3 | CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c(-c2c(Cl)cccc2Cl)n1)C(=O)O | 10.1016/j.bmcl.2013.11.026 | |||
| 118617645 | 170525 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3cc(C)c(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4449708 | 170525 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3cc(C)c(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 90236942 | 171360 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 416 | 6 | 0 | 5 | 5.4 | CCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4461671 | 171360 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 416 | 6 | 0 | 5 | 5.4 | CCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| 49837903 | 104294 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099775 | 104294 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 53245571 | 92400 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 448 | 6 | 0 | 7 | 4.6 | COc1cc2nc(C3CCCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431121 | 92400 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 448 | 6 | 0 | 7 | 4.6 | COc1cc2nc(C3CCCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 118617599 | 171837 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4468696 | 171837 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 1230852 | 36342 | 3 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 434 | 6 | 0 | 7 | 4.3 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL1446377 | 36342 | 3 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 434 | 6 | 0 | 7 | 4.3 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 118617901 | 174401 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3cc(Cl)c(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4552414 | 174401 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3cc(Cl)c(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 49837912 | 104292 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099773 | 104292 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 56593290 | 92408 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 4.3 | CCOc1ccccc1N1CCN(c2nc(C3CC3)nc3cc(OC)c(OC)cc23)CC1 | 10.1021/ml400176n | |||
| CHEMBL2431130 | 92408 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 4.3 | CCOc1ccccc1N1CCN(c2nc(C3CC3)nc3cc(OC)c(OC)cc23)CC1 | 10.1021/ml400176n | |||
| 73356947 | 92392 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 468 | 6 | 0 | 6 | 5.6 | CCOc1cc2c(N3CCN(c4c(C)cccc4C)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431111 | 92392 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 468 | 6 | 0 | 6 | 5.6 | CCOc1cc2c(N3CCN(c4c(C)cccc4C)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| 118617789 | 170827 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 458 | 6 | 0 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](OC)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4453565 | 170827 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 458 | 6 | 0 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](OC)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 49837921 | 104297 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 438 | 9 | 2 | 7 | 3.2 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccncc1 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099780 | 104297 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 438 | 9 | 2 | 7 | 3.2 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccncc1 | 10.1016/j.bmcl.2013.11.026 | |||
| 155283653 | 171291 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 416 | 6 | 0 | 5 | 5.4 | CCN(C)c1cccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c12 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4460691 | 171291 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 416 | 6 | 0 | 5 | 5.4 | CCN(C)c1cccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c12 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610404 | 174491 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.9 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)CC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4554583 | 174491 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.9 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)CC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 56593279 | 92391 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 448 | 6 | 0 | 7 | 3.5 | COc1cc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431109 | 92391 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 448 | 6 | 0 | 7 | 3.5 | COc1cc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 56593273 | 92398 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 406 | 6 | 0 | 7 | 3.6 | C=Cc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | |||
| CHEMBL2431119 | 92398 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 406 | 6 | 0 | 7 | 3.6 | C=Cc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | |||
| 90237466 | 174622 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 403 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4557702 | 174622 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 403 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 49837919 | 104295 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 462 | 7 | 2 | 5 | 5.0 | CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c(-c2ccccc2)n1)C(=O)O | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099776 | 104295 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 462 | 7 | 2 | 5 | 5.0 | CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c(-c2ccccc2)n1)C(=O)O | 10.1016/j.bmcl.2013.11.026 | |||
| 90237332 | 174765 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 430 | 7 | 0 | 5 | 5.7 | CCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4561093 | 174765 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 430 | 7 | 0 | 5 | 5.7 | CCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | |||
| 44157038 | 188939 | 16 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/ml400176n | |||
| CHEMBL508044 | 188939 | 16 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/ml400176n | |||
| 44157038 | 188939 | 16 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL508044 | 188939 | 16 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 73352405 | 92472 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 4.9 | CCOc1cc2c(N3CCN(c4ccccc4[N+](=O)[O-])CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431235 | 92472 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 4.9 | CCOc1cc2c(N3CCN(c4ccccc4[N+](=O)[O-])CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | |||
| 54758539 | 92396 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 422 | 6 | 0 | 7 | 4.1 | COc1cc2nc(C(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| CHEMBL2431117 | 92396 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 422 | 6 | 0 | 7 | 4.1 | COc1cc2nc(C(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | |||
| 118610260 | 170735 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 458 | 6 | 0 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](OC)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4452254 | 170735 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 458 | 6 | 0 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](OC)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 90237274 | 172269 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 0 | 7 | 4.7 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4474616 | 172269 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 0 | 7 | 4.7 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 90237040 | 173407 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4528434 | 173407 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118610314 | 171260 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 420 | 5 | 0 | 5 | 5.0 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4460206 | 171260 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 420 | 5 | 0 | 5 | 5.0 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 50898052 | 104288 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 5.6 | Cc1cccc(C)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099768 | 104288 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 5.6 | Cc1cccc(C)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 53495081 | 104293 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099774 | 104293 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 76324673 | 104291 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099772 | 104291 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 118617810 | 175741 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4583177 | 175741 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | |||
| 118617765 | 174916 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 444 | 7 | 0 | 5 | 6.1 | CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1C | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL4564639 | 174916 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 444 | 7 | 0 | 5 | 6.1 | CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1C | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL3622802 | 211881 | 0 | None | - | 0 | Human | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL258221 | 210516 | 17 | None | 2 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128983 | |||||
| CHEMBL2369722 | 209659 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128983 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128983 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128983 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128983 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128983 | |||||
| 56661177 | 63258 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1018 | 37 | 15 | 15 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL1791383 | 63258 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1018 | 37 | 15 | 15 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| 1580 | 3665 | 46 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2013.11.026 | |||
| 5311451 | 3665 | 46 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2013.11.026 | |||
| 1580 | 3665 | 46 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| 5311451 | 3665 | 46 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| 44354303 | 23458 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 788 | 23 | 10 | 11 | -0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL133340 | 23458 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 788 | 23 | 10 | 11 | -0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 72548703 | 161567 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
| CHEMBL4128926 | 161567 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
| CHEMBL336836 | 211588 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CCNC(=N)NCCC[C@H](N)C(=O)/N=C(/N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/jm0300633 | |||||
| 44354113 | 24096 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 831 | 25 | 9 | 11 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL133850 | 24096 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 831 | 25 | 9 | 11 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL408127 | 212702 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCC(CN)CC1)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL408381 | 212711 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCNCC1)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| 44354087 | 22482 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 845 | 24 | 12 | 13 | -1.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC1NCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL132524 | 22482 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 845 | 24 | 12 | 13 | -1.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC1NCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 44354245 | 167847 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 788 | 23 | 10 | 11 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL430910 | 167847 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 788 | 23 | 10 | 11 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 44354244 | 168325 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 831 | 23 | 11 | 11 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCC/N=C(/N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL434227 | 168325 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 831 | 23 | 11 | 11 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCC/N=C(/N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||||
| CHEMBL2369722 | 209659 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| CHEMBL258221 | 210516 | 17 | None | 2 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | |||||
| 44354154 | 19535 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 818 | 23 | 10 | 10 | 0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL129953 | 19535 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 818 | 23 | 10 | 10 | 0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 44354212 | 116701 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 803 | 24 | 10 | 11 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL337260 | 116701 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 803 | 24 | 10 | 11 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 44354302 | 23511 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 803 | 23 | 9 | 11 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL133378 | 23511 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 803 | 23 | 9 | 11 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 44354075 | 116766 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 803 | 24 | 10 | 11 | -0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL337644 | 116766 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 803 | 24 | 10 | 11 | -0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL468951 | 214026 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| CHEMBL2370478 | 209853 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c1ccc(NC(=N)N)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL404942 | 212535 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL408638 | 212725 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL409477 | 212766 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||||
| 44354120 | 22345 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 816 | 23 | 11 | 11 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL132409 | 22345 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 816 | 23 | 11 | 11 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 44354085 | 22465 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 817 | 24 | 9 | 11 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL132507 | 22465 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 817 | 24 | 9 | 11 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL439494 | 213842 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0300633 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 56661177 | 63258 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1018 | 37 | 15 | 15 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL1791383 | 63258 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1018 | 37 | 15 | 15 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
| 90663196 | 106617 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1499 | 27 | 18 | 18 | 3.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1OC2(c3ccc(O)cc3OC3C=C(O)C=CC32)c2ccc(NC(=N)S)cc21)C1CCNCC1)C1CCC(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||
| CHEMBL3142915 | 106617 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1499 | 27 | 18 | 18 | 3.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1OC2(c3ccc(O)cc3OC3C=C(O)C=CC32)c2ccc(NC(=N)S)cc21)C1CCNCC1)C1CCC(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||
| CHEMBL2369628 | 209643 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||||
| 44413847 | 137211 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL375002 | 137211 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| 44354211 | 22783 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 846 | 25 | 10 | 10 | 0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL132794 | 22783 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 846 | 25 | 10 | 10 | 0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 44354112 | 24095 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 817 | 25 | 10 | 11 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL133849 | 24095 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 817 | 25 | 10 | 11 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 44354304 | 117055 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 774 | 22 | 10 | 11 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL339139 | 117055 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 774 | 22 | 10 | 11 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 122197319 | 133459 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1485 | 32 | 18 | 18 | 3.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||
| CHEMBL3706654 | 133459 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1485 | 32 | 18 | 18 | 3.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||
| CHEMBL2369133 | 209594 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL386387 | 212381 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)O | 10.1021/jm030081k | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | |||||
| 44413846 | 83446 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1018 | 35 | 15 | 15 | -3.0 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL219862 | 83446 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1018 | 35 | 15 | 15 | -3.0 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.7b00500 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.7b00500 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.7b00500 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | |||||
| 44413847 | 137211 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL375002 | 137211 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL504768 | 214184 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm801072v | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm801072v | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm801072v | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm801072v | |||
| CHEMBL1086462 | 208496 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2010.04.038 | |||||
| 122197320 | 133460 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1485 | 32 | 18 | 18 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(N)=S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||
| CHEMBL3706655 | 133460 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1485 | 32 | 18 | 18 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(N)=S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||
| 44354086 | 116779 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 843 | 23 | 10 | 13 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN1CCN=C1N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL337721 | 116779 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 843 | 23 | 10 | 13 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN1CCN=C1N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL138970 | 208757 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | |||||
| 127032102 | 139198 | 0 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786852 | 139198 | 0 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787704 | 139198 | 0 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 127032412 | 139200 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3785364 | 139200 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786291 | 139200 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787706 | 139200 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4579623 | 139200 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| CHEMBL437707 | 213730 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| 44413846 | 83446 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1018 | 35 | 15 | 15 | -3.0 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL219862 | 83446 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1018 | 35 | 15 | 15 | -3.0 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| 44354305 | 24014 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 832 | 24 | 10 | 10 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL133798 | 24014 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 832 | 24 | 10 | 10 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 127033029 | 139205 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786771 | 139205 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787711 | 139205 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| CHEMBL342252 | 211673 | 0 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | |||||
| CHEMBL2369627 | 209642 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCc1ccnc(N)n1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||||
| 44572617 | 188797 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL505906 | 188797 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 145990648 | 166920 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4286652 | 166920 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| 90663479 | 106685 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 828 | 25 | 11 | 11 | -1.2 | CC[C@H](C)[C@H](NC(C#N)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | |||
| CHEMBL3143475 | 106685 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 828 | 25 | 11 | 11 | -1.2 | CC[C@H](C)[C@H](NC(C#N)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | |||
| 145994034 | 167325 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 771 | 15 | 8 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCOC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4294207 | 167325 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 771 | 15 | 8 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCOC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL2370479 | 209854 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL405160 | 212546 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL407187 | 212644 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL410289 | 212811 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL3143232 | 211140 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||||
| 10079267 | 106673 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 849 | 25 | 12 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||
| CHEMBL3143334 | 106673 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 849 | 25 | 12 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||
| CHEMBL3143232 | 211140 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||||
| 145974670 | 164638 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4216311 | 164638 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 44572621 | 188253 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL499673 | 188253 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 145975635 | 163786 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4205887 | 163786 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 44354121 | 168485 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 826 | 22 | 10 | 10 | 0.7 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL435199 | 168485 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 826 | 22 | 10 | 10 | 0.7 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL343970 | 211703 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | |||||
| CHEMBL508380 | 214883 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 145980057 | 166523 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 811 | 28 | 7 | 8 | 4.4 | C=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4279055 | 166523 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 811 | 28 | 7 | 8 | 4.4 | C=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.7b00500 | |||
| 145980071 | 166544 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4279408 | 166544 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| 10079267 | 106673 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 849 | 25 | 12 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||
| CHEMBL3143334 | 106673 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 849 | 25 | 12 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||
| CHEMBL3622806 | 211885 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL3622803 | 211882 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL3143232 | 211140 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||||
| CHEMBL3622806 | 211885 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmcl.2022.128983 | |||||
| 145979804 | 166740 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 713 | 22 | 8 | 9 | 0.6 | C=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4283301 | 166740 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 713 | 22 | 8 | 9 | 0.6 | C=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| 145989581 | 167171 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4291157 | 167171 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| 90663286 | 106633 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 828 | 25 | 11 | 11 | -1.2 | CC[C@H](C)[C@H](NC(C#N)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | |||
| CHEMBL3143244 | 106633 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 828 | 25 | 11 | 11 | -1.2 | CC[C@H](C)[C@H](NC(C#N)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | |||
| 44572618 | 188981 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||
| CHEMBL508507 | 188981 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||
| 25078013 | 214076 | 11 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00018-4 | |||||
| CHEMBL48981 | 214076 | 11 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00018-4 | |||||
| 145989754 | 167110 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4290088 | 167110 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| CHEMBL344337 | 211705 | 0 | None | -14 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| CHEMBL424896 | 213326 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1CCN(C(=N)N)CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| 44572616 | 188782 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL505695 | 188782 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||
| 44413847 | 137211 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL375002 | 137211 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | |||
| CHEMBL405804 | 212582 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | COC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C | 10.1021/jm030081k | |||||
| CHEMBL2369629 | 209644 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL2370477 | 209852 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL266571 | 210689 | 2 | None | -2041 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||||
| CHEMBL3622805 | 211884 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| 145966776 | 164436 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4213725 | 164436 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 44572619 | 172218 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||
| CHEMBL447400 | 172218 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||
| CHEMBL141910 | 208766 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCN1CCNCC1)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | |||||
| CHEMBL501956 | 214147 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 145990573 | 166817 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 658 | 12 | 7 | 9 | 0.1 | CC(C)C[C@H](NC(=O)[C@@H]1COCC=CCc2cc(ccc2O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4284772 | 166817 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 658 | 12 | 7 | 9 | 0.1 | CC(C)C[C@H](NC(=O)[C@@H]1COCC=CCc2cc(ccc2O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| 1580 | 3665 | 46 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.5b01495 | |||
| 5311451 | 3665 | 46 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.5b01495 | |||
| 122197318 | 133458 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1903 | 35 | 23 | 23 | 7.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||
| CHEMBL3706653 | 133458 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1903 | 35 | 23 | 23 | 7.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | |||
| CHEMBL141872 | 208765 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | |||||
| 44572622 | 172697 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL450258 | 172697 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 1580 | 3665 | 46 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.9b00340 | |||
| 5311451 | 3665 | 46 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.9b00340 | |||
| 145989745 | 167085 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4289739 | 167085 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL445035 | 213937 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||||
| CHEMBL413010 | 213042 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(=O)N[C@@H](CC1CCCC1)C(=O)O | 10.1021/jm030081k | |||||
| 9888496 | 141053 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 422 | 7 | 2 | 5 | 2.9 | Cc1ccc(S(=O)(=O)NCCNC2(c3ccccc3)OC(=O)c3ccccc32)cc1 | 10.1016/S0960-894X(00)80423-0 | |||
| CHEMBL38243 | 141053 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 422 | 7 | 2 | 5 | 2.9 | Cc1ccc(S(=O)(=O)NCCNC2(c3ccccc3)OC(=O)c3ccccc32)cc1 | 10.1016/S0960-894X(00)80423-0 | |||
| CHEMBL1793839 | 208927 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||||
| 127034293 | 139202 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787095 | 139202 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787708 | 139202 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 11657884 | 116199 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 803 | 22 | 10 | 11 | -0.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm0300633 | |||
| CHEMBL335846 | 116199 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 803 | 22 | 10 | 11 | -0.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm0300633 | |||
| 1580 | 3665 | 46 | None | 1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| 5311451 | 3665 | 46 | None | 1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/ml400176n | |||
| CHEMBL2370480 | 209855 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C1CCNCC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL413192 | 213054 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC1CCN(C(=N)N)CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)(C)C)C(=O)O | 10.1021/jm030081k | |||||
| CHEMBL501575 | 214139 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 155567371 | 175961 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2295 | 66 | 31 | 36 | -10.9 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C2OC2C(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/j.ejmech.2019.05.068 | |||
| CHEMBL4588311 | 175961 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2295 | 66 | 31 | 36 | -10.9 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C2OC2C(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/j.ejmech.2019.05.068 | |||
| 9888496 | 141053 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 7 | 2 | 5 | 2.9 | Cc1ccc(S(=O)(=O)NCCNC2(c3ccccc3)OC(=O)c3ccccc32)cc1 | 10.1016/S0960-894X(00)80423-0 | |||
| CHEMBL38243 | 141053 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 7 | 2 | 5 | 2.9 | Cc1ccc(S(=O)(=O)NCCNC2(c3ccccc3)OC(=O)c3ccccc32)cc1 | 10.1016/S0960-894X(00)80423-0 | |||
| 155544586 | 173395 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2281 | 67 | 31 | 35 | -9.9 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/j.ejmech.2019.05.068 | |||
| CHEMBL4528094 | 173395 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2281 | 67 | 31 | 35 | -9.9 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/j.ejmech.2019.05.068 | |||
| 56664871 | 63322 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 803 | 25 | 11 | 10 | -1.1 | CC[C@@H](C)[C@@H](NC[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | |||
| CHEMBL1793838 | 63322 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 803 | 25 | 11 | 10 | -1.1 | CC[C@@H](C)[C@@H](NC[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | |||
| 44572620 | 173858 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL453924 | 173858 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 46890552 | 7386 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1711 | 55 | 22 | 24 | -3.2 | CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O | 10.1016/j.bmcl.2010.04.038 | |||
| CHEMBL1086461 | 7386 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1711 | 55 | 22 | 24 | -3.2 | CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O | 10.1016/j.bmcl.2010.04.038 | |||
| 145991532 | 166902 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 741 | 15 | 8 | 9 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL4286324 | 166902 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 741 | 15 | 8 | 9 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | |||
| CHEMBL2371276 | 210032 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O | 10.1021/jm00006a021 | |||||
| CHEMBL139727 | 208759 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCNCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | |||||
| 56675175 | 63321 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 837 | 25 | 11 | 10 | -0.9 | CC[C@@H](C)[C@H](CN[C@@H](Cc1ccccc1)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N | 10.1021/jm00006a021 | |||
| CHEMBL1793837 | 63321 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 837 | 25 | 11 | 10 | -0.9 | CC[C@@H](C)[C@H](CN[C@@H](Cc1ccccc1)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N | 10.1021/jm00006a021 | |||
| 119192 | 2481 | 54 | None | 3 | 9 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.9b00340 | |||
| 1582 | 2481 | 54 | None | 3 | 9 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.9b00340 | |||
| CHEMBL506981 | 2481 | 54 | None | 3 | 9 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.9b00340 | |||
| DB06455 | 2481 | 54 | None | 3 | 9 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.9b00340 | |||
| 46890553 | 7387 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1791 | 57 | 23 | 25 | -3.1 | CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)OP(=O)(O)O | 10.1016/j.bmcl.2010.04.038 | |||
| CHEMBL1086463 | 7387 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1791 | 57 | 23 | 25 | -3.1 | CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)OP(=O)(O)O | 10.1016/j.bmcl.2010.04.038 | |||
| 44572627 | 188285 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL500173 | 188285 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL500734 | 214123 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||||
| CHEMBL344020 | 211704 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | |||||
| CHEMBL3143232 | 211140 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | |||||
| CHEMBL3622801 | 211880 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL3622804 | 211883 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||||
| 127032412 | 139200 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3785364 | 139200 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786291 | 139200 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787706 | 139200 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4579623 | 139200 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| 127032412 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3785364 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786291 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787706 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4579623 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | |||||
| 127032412 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3785364 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786291 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787706 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4579623 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL405584 | 212567 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049644y | |||||
| CHEMBL508567 | 214980 | 2 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2cc[nH]c12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801481y | |||||
| CHEMBL405584 | 212567 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049644y | |||||
| 155547078 | 176536 | 0 | None | -3 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4534768 | 176536 | 0 | None | -3 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597104 | 176536 | 0 | None | -3 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 127030965 | 139203 | 0 | None | -5 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155559776 | 139203 | 0 | None | -5 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL3787709 | 139203 | 0 | None | -5 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4564746 | 139203 | 0 | None | -5 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL270332 | 210806 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/jm801481y | |||||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 155547078 | 176536 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4534768 | 176536 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597104 | 176536 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 155569717 | 176239 | 0 | None | -1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4537266 | 176239 | 0 | None | -1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4594723 | 176239 | 0 | None | -1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 127030965 | 139203 | 0 | None | -5 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155559776 | 139203 | 0 | None | -5 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL3787709 | 139203 | 0 | None | -5 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4564746 | 139203 | 0 | None | -5 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155569737 | 176635 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4457798 | 176635 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597941 | 176635 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155569737 | 176635 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4457798 | 176635 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597941 | 176635 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 10010720 | 11143 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 835 | 27 | 10 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| CHEMBL1178333 | 11143 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 835 | 27 | 10 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| CHEMBL21448 | 11143 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 835 | 27 | 10 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| 10033913 | 11144 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 750 | 25 | 8 | 8 | 4.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| CHEMBL1178334 | 11144 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 750 | 25 | 8 | 8 | 4.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| CHEMBL21521 | 11144 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 750 | 25 | 8 | 8 | 4.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| 44274487 | 11148 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 858 | 27 | 10 | 7 | 4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| CHEMBL1178343 | 11148 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 858 | 27 | 10 | 7 | 4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| CHEMBL21892 | 11148 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 858 | 27 | 10 | 7 | 4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | |||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 155569737 | 176635 | 0 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4457798 | 176635 | 0 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597941 | 176635 | 0 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155569717 | 176239 | 0 | None | -1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4537266 | 176239 | 0 | None | -1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4594723 | 176239 | 0 | None | -1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 127030965 | 139203 | 0 | None | -5 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155559776 | 139203 | 0 | None | -5 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL3787709 | 139203 | 0 | None | -5 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4564746 | 139203 | 0 | None | -5 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL405151 | 212545 | 0 | None | - | 1 | Mouse | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL342252 | 211673 | 0 | None | 4 | 4 | Mouse | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmcl.2008.01.110 | |||||
| CHEMBL342252 | 211673 | 0 | None | 4 | 4 | Mouse | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL264534 | 210626 | 0 | None | - | 1 | Mouse | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL427604 | 213354 | 0 | None | - | 1 | Mouse | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||||
| CHEMBL266571 | 210689 | 2 | None | 2041 | 2 | Mouse | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/0960-894X(95)00155-M | |||||
| 44264095 | 203632 | 0 | None | - | 1 | Mouse | 10.0 | pKi | = | 10 | Binding | ChEMBL | 767 | 20 | 9 | 7 | 1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCN=C(N)N)CCCN=C(N)N)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||
| CHEMBL6716 | 203632 | 0 | None | - | 1 | Mouse | 10.0 | pKi | = | 10 | Binding | ChEMBL | 767 | 20 | 9 | 7 | 1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCN=C(N)N)CCCN=C(N)N)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||
| CHEMBL174771 | 208857 | 0 | None | - | 1 | Mouse | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL412980 | 213037 | 0 | None | - | 1 | Mouse | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL441754 | 213895 | 0 | None | - | 1 | Mouse | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| CHEMBL344337 | 211705 | 0 | None | 14 | 2 | Mouse | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| CHEMBL1793865 | 208929 | 0 | None | - | 1 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||||
| 1574 | 2809 | 20 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | |||||
| 1579 | 2809 | 20 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | |||||
| 25077406 | 2809 | 20 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | |||||
| 3830 | 2809 | 20 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL407196 | 2809 | 20 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | |||||
| CHEMBL413433 | 213068 | 0 | None | - | 1 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| 155569028 | 176575 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4593174 | 176575 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4597456 | 176575 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| 54582126 | 61289 | 0 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||
| CHEMBL1766935 | 61289 | 0 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00388 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00388 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00388 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| CHEMBL1766928 | 208865 | 0 | None | 5 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| CHEMBL366912 | 212157 | 0 | None | - | 1 | Mouse | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| 127033024 | 139199 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786779 | 139199 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787705 | 139199 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||||
| 155544004 | 173312 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1672 | 50 | 23 | 21 | -3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4526200 | 173312 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1672 | 50 | 23 | 21 | -3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL468951 | 214026 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| CHEMBL443967 | 213927 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||||
| CHEMBL4528687 | 213927 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm401491e | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00122 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00122 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00122 | |||||
| 127031851 | 139204 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3785233 | 139204 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787710 | 139204 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL6508 | 215859 | 0 | None | - | 1 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||||
| 127031284 | 139201 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787200 | 139201 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787707 | 139201 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| 127032102 | 139198 | 0 | None | 1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786852 | 139198 | 0 | None | 1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787704 | 139198 | 0 | None | 1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 127032412 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3785364 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786291 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787706 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4579623 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| 127032412 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL3785364 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL3786291 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL3787706 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4579623 | 139200 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL443967 | 213927 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL4528687 | 213927 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL342252 | 211673 | 0 | None | 4 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||||
| 127033029 | 139205 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786771 | 139205 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787711 | 139205 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL1766929 | 208866 | 1 | None | 8 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 127032412 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3785364 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786291 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787706 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4579623 | 139200 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| 127032102 | 139198 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786852 | 139198 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787704 | 139198 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL504768 | 214184 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 155529795 | 176342 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4463399 | 176342 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4595550 | 176342 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 142489081 | 176651 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 831 | 23 | 13 | 10 | -0.8 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4567709 | 176651 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 831 | 23 | 13 | 10 | -0.8 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4598051 | 176651 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 831 | 23 | 13 | 10 | -0.8 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL425847 | 213341 | 0 | None | - | 1 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| 72737612 | 103590 | 0 | None | 70 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 958 | 20 | 5 | 15 | 4.6 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)CCCCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)cc1C(C)C | 10.1021/jm401491e | |||
| CHEMBL3086356 | 103590 | 0 | None | 70 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 958 | 20 | 5 | 15 | 4.6 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)CCCCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)cc1C(C)C | 10.1021/jm401491e | |||
| 155552815 | 176419 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 873 | 26 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4544373 | 176419 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 873 | 26 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4596137 | 176419 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 873 | 26 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.9b00122 | |||
| 1580 | 3665 | 46 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm401491e | |||
| 5311451 | 3665 | 46 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm401491e | |||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm401491e | |||
| CHEMBL342252 | 211673 | 0 | None | -4 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | |||||
| 1574 | 2809 | 20 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | |||||
| 1579 | 2809 | 20 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | |||||
| 25077406 | 2809 | 20 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | |||||
| 3830 | 2809 | 20 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | |||||
| CHEMBL407196 | 2809 | 20 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | |||||
| 1580 | 3665 | 46 | None | 1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.5b01495 | |||
| 5311451 | 3665 | 46 | None | 1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3040381 | 3665 | 46 | None | 1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL269601 | 210800 | 0 | None | - | 1 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||||
| 155522777 | 176533 | 0 | None | -4 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 816 | 22 | 13 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4452276 | 176533 | 0 | None | -4 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 816 | 22 | 13 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4597094 | 176533 | 0 | None | -4 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 816 | 22 | 13 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | |||||
| 155529795 | 176342 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4463399 | 176342 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4595550 | 176342 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | |||||
| 155569737 | 176635 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4457798 | 176635 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597941 | 176635 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155569737 | 176635 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4457798 | 176635 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597941 | 176635 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 1580 | 3665 | 46 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | |||
| 5311451 | 3665 | 46 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | |||
| CHEMBL3040381 | 3665 | 46 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 155569717 | 176239 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4537266 | 176239 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4594723 | 176239 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155551504 | 176530 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 831 | 22 | 12 | 10 | -0.8 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4541665 | 176530 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 831 | 22 | 12 | 10 | -0.8 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4597084 | 176530 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 831 | 22 | 12 | 10 | -0.8 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL254769 | 210511 | 0 | None | -2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | |||||
| 1574 | 2809 | 20 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | |||||
| 1579 | 2809 | 20 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | |||||
| 25077406 | 2809 | 20 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | |||||
| 3830 | 2809 | 20 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | |||||
| CHEMBL407196 | 2809 | 20 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | |||||
| 127034293 | 139202 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787095 | 139202 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787708 | 139202 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 127033029 | 139205 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786771 | 139205 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787711 | 139205 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | |||
| 162668357 | 182473 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1614 | 47 | 22 | 20 | -3.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4786574 | 182473 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1614 | 47 | 22 | 20 | -3.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL344337 | 211705 | 0 | None | -14 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 155569717 | 176239 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4537266 | 176239 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4594723 | 176239 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL367552 | 212159 | 0 | None | - | 1 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1016/S0960-894X(00)80698-8 | |||||
| 44572621 | 188253 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL499673 | 188253 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 56672657 | 63196 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 736 | 20 | 7 | 8 | 2.5 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790460 | 63196 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 736 | 20 | 7 | 8 | 2.5 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL172313 | 208852 | 0 | None | -22 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| 73354481 | 89357 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 768 | 21 | 7 | 8 | 3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC1CC2CCC1C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL2369588 | 89357 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 768 | 21 | 7 | 8 | 3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC1CC2CCC1C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1766943 | 208875 | 0 | None | -100 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccccn1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 49837912 | 104292 | 3 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL3099773 | 104292 | 3 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 118729839 | 117944 | 0 | None | -79 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2015.03.083 | |||
| CHEMBL3403506 | 117944 | 0 | None | -79 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2015.03.083 | |||
| CHEMBL508380 | 214883 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||||
| CHEMBL1766924 | 208861 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| CHEMBL171907 | 208849 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL1766927 | 208864 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| 10463024 | 89478 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 20 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||
| CHEMBL2372106 | 89478 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 20 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||
| 11285912 | 123676 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||
| CHEMBL362127 | 123676 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||
| 10463024 | 89478 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 20 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL2372106 | 89478 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 20 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL367873 | 212160 | 0 | None | - | 1 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(N)=O | 10.1016/S0960-894X(00)80698-8 | |||||
| 90644394 | 112147 | 0 | None | -10 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2015.03.083 | |||
| CHEMBL3290101 | 112147 | 0 | None | -10 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2015.03.083 | |||
| 56664793 | 63335 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 712 | 18 | 7 | 8 | 5.1 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| CHEMBL1794003 | 63335 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 712 | 18 | 7 | 8 | 5.1 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| CHEMBL1766926 | 208863 | 0 | None | -15 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| CHEMBL1766934 | 208871 | 1 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| CHEMBL1766933 | 208870 | 0 | None | -18 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 44572618 | 188981 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||
| CHEMBL508507 | 188981 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||
| CHEMBL2310906 | 209499 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||||
| 44396911 | 66938 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||
| CHEMBL186638 | 66938 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||
| 145974670 | 164638 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4216311 | 164638 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 168269036 | 190014 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 895 | 28 | 14 | 13 | -1.4 | CC(C)C[C@H](NC(=O)[C@@H](CCSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL5171551 | 190014 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 895 | 28 | 14 | 13 | -1.4 | CC(C)C[C@H](NC(=O)[C@@H](CCSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| 145966676 | 164248 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4211344 | 164248 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 145975635 | 163786 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4205887 | 163786 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 145978385 | 163932 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 812 | 23 | 8 | 10 | 1.9 | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)(C)C | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4207506 | 163932 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 812 | 23 | 8 | 10 | 1.9 | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)(C)C | 10.1021/acs.jmedchem.8b00175 | |||
| 10440472 | 180116 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 823 | 15 | 11 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4748559 | 180116 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 823 | 15 | 11 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4436458 | 214161 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL503059 | 214161 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N | 10.1016/j.bmc.2008.08.051 | |||||
| 44265474 | 98452 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 824 | 23 | 8 | 10 | 2.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NNCC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||
| CHEMBL275752 | 98452 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 824 | 23 | 8 | 10 | 2.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NNCC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||
| 162660488 | 181365 | 0 | None | -10 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1646 | 51 | 24 | 21 | -3.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4763222 | 181365 | 0 | None | -10 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1646 | 51 | 24 | 21 | -3.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL267748 | 210729 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N/C=C/C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||||
| 44264255 | 166553 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 683 | 18 | 7 | 7 | 2.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCN)CCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||
| CHEMBL427956 | 166553 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 683 | 18 | 7 | 7 | 2.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCN)CCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||
| CHEMBL411195 | 212869 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN(CCCCN)C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| CHEMBL267459 | 210721 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCN=C(N)N)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||||
| 11228237 | 168309 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||
| CHEMBL434134 | 168309 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | |||
| CHEMBL267714 | 210728 | 0 | None | -17 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||||
| 90644389 | 112142 | 0 | None | -1 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.3 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2015.03.083 | |||
| CHEMBL3290096 | 112142 | 0 | None | -1 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.3 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2015.03.083 | |||
| 155560504 | 176418 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 24 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4567672 | 176418 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 24 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00122 | |||
| CHEMBL4596126 | 176418 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 24 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00122 | |||
| 56669202 | 63198 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 780 | 19 | 7 | 8 | 3.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790463 | 63198 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 780 | 19 | 7 | 8 | 3.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL266571 | 210689 | 2 | None | -2041 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||||
| 56658940 | 63203 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 716 | 19 | 7 | 8 | 2.2 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790472 | 63203 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 716 | 19 | 7 | 8 | 2.2 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| 10056201 | 163522 | 8 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 809 | 15 | 11 | 9 | -0.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4202627 | 163522 | 8 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 809 | 15 | 11 | 9 | -0.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4528239 | 214740 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL508130 | 214740 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| 145976898 | 163832 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4206391 | 163832 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | |||
| 162677029 | 183504 | 0 | None | 4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1632 | 50 | 23 | 21 | -3.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4799695 | 183504 | 0 | None | 4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1632 | 50 | 23 | 21 | -3.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| 1580 | 3665 | 46 | None | -1 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | |||
| 5311451 | 3665 | 46 | None | -1 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | |||
| CHEMBL3040381 | 3665 | 46 | None | -1 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | |||
| 44572616 | 188782 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL505695 | 188782 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL172473 | 208853 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| 155547078 | 176536 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4534768 | 176536 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597104 | 176536 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 162651256 | 180334 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4751221 | 180334 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| 162674076 | 183085 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1629 | 48 | 22 | 20 | -2.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4794420 | 183085 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1629 | 48 | 22 | 20 | -2.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| 44578945 | 188893 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 881 | 22 | 13 | 10 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NC1(C(=O)O)C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2008.08.051 | |||
| CHEMBL507382 | 188893 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 881 | 22 | 13 | 10 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NC1(C(=O)O)C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2008.08.051 | |||
| 168274909 | 190249 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 995 | 31 | 15 | 14 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL5175252 | 190249 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 995 | 31 | 15 | 14 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| 155547078 | 176536 | 0 | None | -3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4534768 | 176536 | 0 | None | -3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4597104 | 176536 | 0 | None | -3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155569726 | 176224 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4584647 | 176224 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4594647 | 176224 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 119192 | 2481 | 54 | None | 3 | 9 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2013.04.075 | |||
| 1582 | 2481 | 54 | None | 3 | 9 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2013.04.075 | |||
| CHEMBL506981 | 2481 | 54 | None | 3 | 9 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2013.04.075 | |||
| DB06455 | 2481 | 54 | None | 3 | 9 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2013.04.075 | |||
| 155569719 | 176372 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4592541 | 176372 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4595797 | 176372 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL258221 | 210516 | 17 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| 162674795 | 183457 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1580 | 48 | 22 | 20 | -4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4799000 | 183457 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1580 | 48 | 22 | 20 | -4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| 162655533 | 180781 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1646 | 51 | 24 | 21 | -3.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4756326 | 180781 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1646 | 51 | 24 | 21 | -3.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| 44572622 | 172697 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL450258 | 172697 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 44572619 | 172218 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||
| CHEMBL447400 | 172218 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||
| CHEMBL174438 | 208856 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| 162658930 | 181025 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4759247 | 181025 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL253527 | 210510 | 0 | None | -12 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 56658939 | 63202 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1028 | 25 | 7 | 8 | 5.5 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790469 | 63202 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1028 | 25 | 7 | 8 | 5.5 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790473 | 208891 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||||
| CHEMBL501956 | 214147 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 56662311 | 63201 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 792 | 20 | 7 | 8 | 3.8 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790467 | 63201 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 792 | 20 | 7 | 8 | 3.8 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1766931 | 208868 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 56681744 | 63333 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 730 | 18 | 7 | 8 | 5.2 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1F)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| CHEMBL1794000 | 63333 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 730 | 18 | 7 | 8 | 5.2 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1F)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| 54585990 | 61292 | 0 | None | -46 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N | 10.1021/jm200006c | |||
| CHEMBL1766938 | 61292 | 0 | None | -46 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N | 10.1021/jm200006c | |||
| CHEMBL1766925 | 208862 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| CHEMBL1766942 | 208874 | 0 | None | -131 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| CHEMBL265671 | 210659 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NCCCCCCN)C(C)(C)C | 10.1016/0960-894X(95)00155-M | |||||
| 168291832 | 191862 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 881 | 27 | 14 | 13 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](CSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL5199274 | 191862 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 881 | 27 | 14 | 13 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](CSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL1766825 | 208859 | 0 | None | -3235 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 56661317 | 63334 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 711 | 19 | 7 | 8 | 4.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| CHEMBL1794002 | 63334 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 711 | 19 | 7 | 8 | 4.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| 56669201 | 63195 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 858 | 24 | 9 | 10 | 1.9 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790457 | 63195 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 858 | 24 | 9 | 10 | 1.9 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL8899 | 215898 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NNCC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | |||||
| 54582127 | 61290 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)C[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||
| CHEMBL1766936 | 61290 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)C[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||
| 155569734 | 176694 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4566971 | 176694 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4598410 | 176694 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 44264252 | 203348 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 711 | 20 | 7 | 7 | 3.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCCN)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||
| CHEMBL6505 | 203348 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 711 | 20 | 7 | 7 | 3.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCCN)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||
| 145975472 | 163974 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 742 | 14 | 8 | 9 | 0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4207932 | 163974 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 742 | 14 | 8 | 9 | 0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c01726 | |||
| 145975472 | 163974 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 742 | 14 | 8 | 9 | 0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4207932 | 163974 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 742 | 14 | 8 | 9 | 0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL2369509 | 209630 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)N(CC(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN | 10.1021/jm200006c | |||||
| CHEMBL254770 | 210512 | 0 | None | -30 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| CHEMBL445035 | 213937 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 145977513 | 163566 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4203162 | 163566 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL6562 | 215862 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C | 10.1016/0960-894X(95)00155-M | |||||
| CHEMBL1766946 | 208878 | 0 | None | -7413 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 90644398 | 112151 | 0 | None | -22 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | |||
| CHEMBL3290105 | 112151 | 0 | None | -22 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | |||
| 145967420 | 164280 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4211866 | 164280 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL2369509 | 209630 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)N(CC(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN | 10.1021/jm200006c | |||||
| 44157038 | 188939 | 16 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| CHEMBL508044 | 188939 | 16 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | |||
| 162660690 | 181327 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 880 | 15 | 11 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4762781 | 181327 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 880 | 15 | 11 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| 10463386 | 164368 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 880 | 15 | 11 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4212835 | 164368 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 880 | 15 | 11 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL1766940 | 208872 | 0 | None | -2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N(CC(=O)O)CC(C)C | 10.1021/jm200006c | |||||
| 44265535 | 167467 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 853 | 26 | 9 | 12 | 2.5 | CC[C@H](C)[C@H](NNCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1NCC(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||
| CHEMBL429903 | 167467 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 853 | 26 | 9 | 12 | 2.5 | CC[C@H](C)[C@H](NNCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1NCC(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||
| CHEMBL173256 | 208855 | 0 | None | - | 1 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | |||||
| 155548876 | 176298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4538956 | 176298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4595185 | 176298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| 145947110 | 167629 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4299304 | 167629 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4301523 | 167629 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 127030965 | 139203 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155559776 | 139203 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL3787709 | 139203 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4564746 | 139203 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155548876 | 176298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4538956 | 176298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4595185 | 176298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| 155569726 | 176224 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4584647 | 176224 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4594647 | 176224 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 44572620 | 173858 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL453924 | 173858 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL172313 | 208852 | 0 | None | 14 | 3 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | |||||
| CHEMBL1766923 | 208860 | 0 | None | 12 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | |||||
| CHEMBL501575 | 214139 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | |||||
| 168283408 | 190891 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1009 | 32 | 15 | 14 | -0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL5184967 | 190891 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1009 | 32 | 15 | 14 | -0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| 10101832 | 180287 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 793 | 12 | 10 | 8 | 0.6 | CC(C)C[C@@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4750764 | 180287 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 793 | 12 | 10 | 8 | 0.6 | CC(C)C[C@@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL2310906 | 209499 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| 56665745 | 63200 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 737 | 20 | 7 | 9 | 1.9 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1cccnc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790466 | 63200 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 737 | 20 | 7 | 9 | 1.9 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1cccnc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| 145970755 | 164780 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4218115 | 164780 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 162646717 | 179608 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1671 | 50 | 23 | 21 | -4.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4742361 | 179608 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1671 | 50 | 23 | 21 | -4.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL268600 | 210760 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCN=C(N)N)C(C)(C)C | 10.1016/0960-894X(95)00155-M | |||||
| 101040509 | 164713 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 756 | 13 | 8 | 8 | 1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4217340 | 164713 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 756 | 13 | 8 | 8 | 1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 162661419 | 181887 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 756 | 13 | 8 | 8 | 1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4779035 | 181887 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 756 | 13 | 8 | 8 | 1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| 137651867 | 157248 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 734 | 24 | 9 | 10 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | |||
| CHEMBL4076517 | 157248 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 734 | 24 | 9 | 10 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | |||
| 44447826 | 96955 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||
| CHEMBL266230 | 96955 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||
| CHEMBL1766941 | 208873 | 0 | None | -1230 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(OC)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 168291832 | 191862 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 881 | 27 | 14 | 13 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](CSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL5199274 | 191862 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 881 | 27 | 14 | 13 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](CSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| 168269036 | 190014 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 895 | 28 | 14 | 13 | -1.4 | CC(C)C[C@H](NC(=O)[C@@H](CCSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL5171551 | 190014 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 895 | 28 | 14 | 13 | -1.4 | CC(C)C[C@H](NC(=O)[C@@H](CCSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| 44572620 | 173858 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL453924 | 173858 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 155511768 | 169612 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1924 | 44 | 18 | 25 | 5.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](C)c4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc32)nn1)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4436580 | 169612 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1924 | 44 | 18 | 25 | 5.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](C)c4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc32)nn1)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00388 | |||
| 155511768 | 169612 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1924 | 44 | 18 | 25 | 5.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](C)c4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc32)nn1)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4436580 | 169612 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1924 | 44 | 18 | 25 | 5.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](C)c4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc32)nn1)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00388 | |||
| 168274909 | 190249 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 995 | 31 | 15 | 14 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL5175252 | 190249 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 995 | 31 | 15 | 14 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL2310906 | 209499 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| CHEMBL1790470 | 208890 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||||
| 73356042 | 89356 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 782 | 21 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC1CCC2CCCC21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL2369587 | 89356 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 782 | 21 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC1CCC2CCCC21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| 44581036 | 187900 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | |||
| CHEMBL496585 | 187900 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | |||
| 145966776 | 164436 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4213725 | 164436 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 137646112 | 157919 | 0 | None | -21 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 726 | 26 | 9 | 10 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | |||
| CHEMBL4084378 | 157919 | 0 | None | -21 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 726 | 26 | 9 | 10 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | |||
| 44265532 | 158454 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 824 | 23 | 8 | 10 | 2.9 | CC[C@H](C)[C@H](NNCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||
| CHEMBL409061 | 158454 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 824 | 23 | 8 | 10 | 2.9 | CC[C@H](C)[C@H](NNCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||
| 162667468 | 182556 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1615 | 46 | 22 | 20 | -3.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4787611 | 182556 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1615 | 46 | 22 | 20 | -3.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL380726 | 212273 | 0 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | |||||
| CHEMBL4436458 | 214161 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N | 10.1021/acsmedchemlett.9b00122 | |||||
| CHEMBL503059 | 214161 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N | 10.1021/acsmedchemlett.9b00122 | |||||
| CHEMBL8857 | 215897 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||||
| CHEMBL8857 | 215897 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||||
| 44572627 | 188285 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL500173 | 188285 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL500734 | 214123 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||||
| 145976418 | 163886 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4206981 | 163886 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 137660279 | 159368 | 0 | None | -9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 756 | 26 | 9 | 10 | 0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | |||
| CHEMBL4100456 | 159368 | 0 | None | -9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 756 | 26 | 9 | 10 | 0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | |||
| 56672658 | 63197 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 730 | 20 | 7 | 8 | 2.6 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790461 | 63197 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 730 | 20 | 7 | 8 | 2.6 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| 1570 | 2127 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80282-6 | |||||
| 164415 | 2127 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80282-6 | |||||
| CHEMBL8454 | 2127 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80282-6 | |||||
| 1570 | 2127 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(01)81014-3 | |||||
| 164415 | 2127 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(01)81014-3 | |||||
| CHEMBL8454 | 2127 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(01)81014-3 | |||||
| 168283408 | 190891 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1009 | 32 | 15 | 14 | -0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| CHEMBL5184967 | 190891 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1009 | 32 | 15 | 14 | -0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | |||
| 127030965 | 139203 | 0 | None | -5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 155559776 | 139203 | 0 | None | -5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL3787709 | 139203 | 0 | None | -5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| CHEMBL4564746 | 139203 | 0 | None | -5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | |||
| 145947110 | 167629 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4299304 | 167629 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL4301523 | 167629 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL1766930 | 208867 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| CHEMBL2310906 | 209499 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | |||||
| 118729838 | 117943 | 0 | None | -51 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2015.03.083 | |||
| CHEMBL3403505 | 117943 | 0 | None | -51 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2015.03.083 | |||
| 56675174 | 63320 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 698 | 19 | 7 | 8 | 5.6 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| CHEMBL1793833 | 63320 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 698 | 19 | 7 | 8 | 5.6 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| 162653994 | 180548 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1587 | 46 | 20 | 20 | -2.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4753810 | 180548 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1587 | 46 | 20 | 20 | -2.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | |||
| 10440473 | 183247 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 823 | 14 | 11 | 9 | -0.3 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4796388 | 183247 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 823 | 14 | 11 | 9 | -0.3 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01726 | |||
| 145964771 | 164195 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4210760 | 164195 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| 44572617 | 188797 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL505906 | 188797 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 54585023 | 61291 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||
| CHEMBL1766937 | 61291 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||
| 54583075 | 61293 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)CC(C)C | 10.1021/jm200006c | |||
| CHEMBL1766939 | 61293 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)CC(C)C | 10.1021/jm200006c | |||
| CHEMBL1766944 | 208876 | 0 | None | -11748 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| CHEMBL427656 | 213361 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||||
| CHEMBL427656 | 213361 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | |||||
| 10259838 | 182440 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 816 | 14 | 10 | 10 | 0.8 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL4786197 | 182440 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 816 | 14 | 10 | 10 | 0.8 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01726 | |||
| CHEMBL1766945 | 208877 | 0 | None | -1905 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 54580109 | 61294 | 0 | None | -251 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 862 | 24 | 11 | 8 | 3.0 | C=C(N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCNC(=N)N | 10.1021/jm200006c | |||
| CHEMBL1766947 | 61294 | 0 | None | -251 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 862 | 24 | 11 | 8 | 3.0 | C=C(N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCNC(=N)N | 10.1021/jm200006c | |||
| 56658818 | 63199 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 812 | 21 | 7 | 8 | 4.2 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL1790465 | 63199 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 812 | 21 | 7 | 8 | 4.2 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | |||
| CHEMBL4528239 | 214740 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||||
| CHEMBL508130 | 214740 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | |||||
| CHEMBL1766932 | 208869 | 0 | None | -6 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | |||||
| 56681743 | 63332 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 714 | 18 | 6 | 7 | 5.5 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(F)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| CHEMBL1793999 | 63332 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 714 | 18 | 6 | 7 | 5.5 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(F)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | |||
| 155547102 | 176252 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4533793 | 176252 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4594880 | 176252 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| 155513243 | 176401 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4438773 | 176401 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4595989 | 176401 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| 155547102 | 176252 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4533793 | 176252 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4594880 | 176252 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| 155513243 | 176401 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4438773 | 176401 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| CHEMBL4595989 | 176401 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acsmedchemlett.9b00388 | |||
| 44572621 | 188253 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| CHEMBL499673 | 188253 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | |||
| 145972052 | 164518 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL4214816 | 164518 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | |||
| CHEMBL266571 | 210689 | 2 | None | -2041 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | |||||
| 1574 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 1574 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | |||||
| 1579 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 1579 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | |||||
| 25077406 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 25077406 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | |||||
| 3830 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 3830 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | |||||
| CHEMBL407196 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| CHEMBL407196 | 2809 | 20 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | |||||
| 1574 | 2809 | 20 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 1579 | 2809 | 20 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 25077406 | 2809 | 20 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 3830 | 2809 | 20 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL407196 | 2809 | 20 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 21830793 | 91835 | 10 | 3H-8-OH-DPAT | -66069 | 45 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
| CHEMBL2413154 | 91835 | 10 | 3H-8-OH-DPAT | -66069 | 45 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
| None | 216366 | 0 | 125I-Neurotensin | - | 1 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 420 | 4 | 1 | 3 | 4.9 | CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F | None | |||
| 1570 | 2127 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 164415 | 2127 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| CHEMBL8454 | 2127 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 1569 | 2126 | 32 | None | 2 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 5311318 | 2126 | 32 | None | 2 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| CHEMBL415788 | 2126 | 32 | None | 2 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 1568 | 2123 | 0 | None | -31 | 2 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 1571 | 2128 | 0 | None | -10 | 2 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 1581 | 3670 | 10 | None | 12 | 2 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 7746272 | |||
| 9915499 | 3670 | 10 | None | 12 | 2 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 7746272 | |||
| CHEMBL461604 | 3670 | 10 | None | 12 | 2 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 7746272 | |||
| 119192 | 2481 | 54 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 7746272 | |||
| 119192 | 2481 | 54 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9632698 | |||
| 1582 | 2481 | 54 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 7746272 | |||
| 1582 | 2481 | 54 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9632698 | |||
| CHEMBL506981 | 2481 | 54 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 7746272 | |||
| CHEMBL506981 | 2481 | 54 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9632698 | |||
| DB06455 | 2481 | 54 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 7746272 | |||
| DB06455 | 2481 | 54 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9632698 | |||
| 119192 | 2481 | 54 | None | -3 | 9 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 11723247 | |||
| 1582 | 2481 | 54 | None | -3 | 9 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 11723247 | |||
| CHEMBL506981 | 2481 | 54 | None | -3 | 9 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 11723247 | |||
| DB06455 | 2481 | 54 | None | -3 | 9 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 11723247 | |||
| 1578 | 2772 | 0 | None | - | 1 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 9940301 | 2772 | 0 | None | - | 1 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 1572 | 2129 | 0 | None | 1 | 2 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 5311320 | 2129 | 0 | None | 1 | 2 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| 1574 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| 1579 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| 25077406 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| 3830 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| CHEMBL407196 | 2809 | 20 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | |||||
| 1574 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| 1574 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 1574 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | |||||
| 1579 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| 1579 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 1579 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | |||||
| 25077406 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| 25077406 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 25077406 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | |||||
| 3830 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| 3830 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 3830 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | |||||
| CHEMBL407196 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | |||||
| CHEMBL407196 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| CHEMBL407196 | 2809 | 20 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | |||||
| 130482 | 1540 | 0 | None | - | 1 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 1566 | 1540 | 0 | None | - | 1 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||
| 1567 | 1541 | 0 | None | - | 1 | Rat | 9.8 | pKi | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | |||||