Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
CHEMBL2371966 | 210140 | 0 | None | 616 | 4 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | ||||
118722937 | 116212 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCc2cn(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358545 | 116212 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCc2cn(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
118722941 | 116216 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358549 | 116216 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
118722933 | 116209 | 0 | None | 1 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1038 | 33 | 13 | 11 | 1.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358541 | 116209 | 0 | None | 1 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1038 | 33 | 13 | 11 | 1.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
118722944 | 116219 | 0 | None | -1 | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1034 | 17 | 13 | 13 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358552 | 116219 | 0 | None | -1 | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1034 | 17 | 13 | 13 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
CHEMBL414965 | 213143 | 0 | None | -1 | 5 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
118722930 | 116207 | 0 | None | 1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358539 | 116207 | 0 | None | 1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
CHEMBL405087 | 212518 | 0 | None | -1 | 5 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
CHEMBL406842 | 212601 | 0 | None | 3 | 5 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
CHEMBL413212 | 213032 | 0 | None | -6 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
127036484 | 136420 | 0 | None | -2 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1024 | 17 | 14 | 11 | -1.0 | CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735690 | 136420 | 0 | None | -2 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1024 | 17 | 14 | 11 | -1.0 | CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL410404 | 212796 | 0 | None | 11 | 5 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
118722926 | 116204 | 0 | None | -1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358535 | 116204 | 0 | None | -1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
118722931 | 116208 | 0 | None | 1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358540 | 116208 | 0 | None | 1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
118722938 | 116213 | 0 | None | -1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCc2cn(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358546 | 116213 | 0 | None | -1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCc2cn(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
127036484 | 136420 | 0 | None | -2 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1024 | 17 | 14 | 11 | -1.0 | CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735690 | 136420 | 0 | None | -2 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1024 | 17 | 14 | 11 | -1.0 | CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
CHEMBL411400 | 212860 | 0 | None | 48 | 5 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O | 10.1021/jm030452x | ||||
118722942 | 116217 | 0 | None | -1 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cn2cc(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358550 | 116217 | 0 | None | -1 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cn2cc(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
118722943 | 116218 | 0 | None | -1 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1034 | 17 | 13 | 13 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358551 | 116218 | 0 | None | -1 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1034 | 17 | 13 | 13 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
1323 | 2669 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
92432 | 2669 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL430239 | 2669 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44310104 | 81559 | 0 | None | -7 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1040 | 16 | 13 | 13 | -1.5 | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)ONCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL216295 | 81559 | 0 | None | -7 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1040 | 16 | 13 | 13 | -1.5 | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)ONCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL2371851 | 210116 | 0 | None | -3 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N1C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]1CC(=O)O | 10.1021/jm0490843 | ||||
CHEMBL405335 | 212533 | 0 | None | 2 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
118722927 | 116205 | 0 | None | 1 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358536 | 116205 | 0 | None | 1 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
122194229 | 123957 | 0 | None | -7 | 5 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1646 | 50 | 23 | 21 | -4.1 | CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3629347 | 123957 | 0 | None | -7 | 5 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1646 | 50 | 23 | 21 | -4.1 | CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.10.095 | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
1323 | 2669 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
92432 | 2669 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL430239 | 2669 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
1323 | 2669 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
92432 | 2669 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
CHEMBL430239 | 2669 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.5b00053 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.5b00053 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.5b00053 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.5b00053 | ||||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.9b00198 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.9b00198 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL408843 | 212712 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
118722932 | 115492 | 0 | None | 1 | 4 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1038 | 33 | 13 | 11 | 1.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL3352878 | 115492 | 0 | None | 1 | 4 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1038 | 33 | 13 | 11 | 1.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL2371969 | 210143 | 0 | None | 1000 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0614275 | ||||
1324 | 301 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16154396 | 301 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16197727 | 301 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
44285019 | 301 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
57514683 | 301 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
91898441 | 301 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL441738 | 301 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
DB04931 | 301 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
122194229 | 123957 | 0 | None | -7 | 5 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1646 | 50 | 23 | 21 | -4.1 | CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||
CHEMBL3629347 | 123957 | 0 | None | -7 | 5 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1646 | 50 | 23 | 21 | -4.1 | CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL2371971 | 210145 | 0 | None | 1288 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](c2ccccc2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL501592 | 214118 | 0 | None | 37 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
134463477 | 159228 | 0 | None | 3 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 977 | 11 | 12 | 11 | -1.9 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4099127 | 159228 | 0 | None | 3 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 977 | 11 | 12 | 11 | -1.9 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
45487403 | 197412 | 0 | None | -33 | 5 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 788 | 22 | 9 | 7 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC1=CN=CC1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569693 | 197412 | 0 | None | -33 | 5 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 788 | 22 | 9 | 7 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC1=CN=CC1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
118722936 | 116211 | 0 | None | -3 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358544 | 116211 | 0 | None | -3 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL2371962 | 210136 | 0 | None | 8 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL267794 | 210710 | 0 | None | -11 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
1324 | 301 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 301 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 301 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 301 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 301 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 301 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 301 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 301 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2003.08.078 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2003.08.078 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2003.08.078 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2003.08.078 | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
CHEMBL307457 | 210958 | 0 | None | 10 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL266417 | 210660 | 0 | None | -12 | 6 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010524p | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010524p | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010524p | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010524p | ||||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0303608 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0303608 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0303608 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0303608 | ||||
CHEMBL2371967 | 210141 | 0 | None | 275 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0614275 | ||||
134466953 | 156634 | 0 | None | -1 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1153 | 14 | 13 | 12 | -1.3 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4069451 | 156634 | 0 | None | -1 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1153 | 14 | 13 | 12 | -1.3 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
90643803 | 111716 | 0 | None | 1 | 5 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 898 | 18 | 9 | 7 | 0.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287323 | 111716 | 0 | None | 1 | 5 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 898 | 18 | 9 | 7 | 0.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL386081 | 212352 | 0 | None | -25 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL429236 | 213493 | 0 | None | -21 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
10886436 | 119131 | 0 | None | 1 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL342954 | 119131 | 0 | None | 1 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1021/acs.jmedchem.0c02041 | ||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
CHEMBL410763 | 212815 | 0 | None | -14 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL2369484 | 209604 | 0 | None | -2 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NN[C@H]2Cc3ccc(O)cc3NC2=O)CC(=O)N[C@H](C(=O)NN[C@@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||||
CHEMBL411378 | 212858 | 0 | None | 16 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | Cc1nc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC2=O)c[nH]1 | 10.1021/jm030452x | ||||
44310344 | 97300 | 0 | None | -3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4414 | 53 | 53 | 68 | -9.9 | CC(=O)NN[C@H]1CSSSSC[C@@H]2NC(=O)[C@@H]3CSSSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC2=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4 | 10.1021/jm0303608 | ||
77231883 | 97300 | 0 | None | -3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4414 | 53 | 53 | 68 | -9.9 | CC(=O)NN[C@H]1CSSSSC[C@@H]2NC(=O)[C@@H]3CSSSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC2=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4 | 10.1021/jm0303608 | ||
CHEMBL269274 | 97300 | 0 | None | -3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4414 | 53 | 53 | 68 | -9.9 | CC(=O)NN[C@H]1CSSSSC[C@@H]2NC(=O)[C@@H]3CSSSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC2=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4 | 10.1021/jm0303608 | ||
10078903 | 67990 | 0 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 769 | 24 | 9 | 7 | 1.8 | CCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL191303 | 67990 | 0 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 769 | 24 | 9 | 7 | 1.8 | CCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
1324 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16154396 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16197727 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
44285019 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
57514683 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
91898441 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL441738 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
DB04931 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
1324 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16154396 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16197727 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
44285019 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
57514683 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
91898441 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL441738 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
DB04931 | 301 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.5b01894 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.5b01894 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL264536 | 210604 | 5 | None | -13 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm010061n | ||||
90643806 | 111719 | 0 | None | 6 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 728 | 14 | 5 | 8 | 1.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287326 | 111719 | 0 | None | 6 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 728 | 14 | 5 | 8 | 1.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL428801 | 213449 | 0 | None | -12 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
101670969 | 168872 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
16131138 | 168872 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
44349184 | 168872 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
53310908 | 168872 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
91898438 | 168872 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL438402 | 168872 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0490843 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0490843 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0490843 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0490843 | ||||
122184910 | 122529 | 0 | None | 2 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601428 | 122529 | 0 | None | 2 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm00018a005 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm00018a005 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm00018a005 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm00018a005 | ||||
90643802 | 111715 | 0 | None | 2 | 5 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 820 | 14 | 5 | 8 | 1.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287322 | 111715 | 0 | None | 2 | 5 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 820 | 14 | 5 | 8 | 1.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
11158573 | 71090 | 0 | None | -2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 783 | 25 | 9 | 7 | 2.1 | CCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL195439 | 71090 | 0 | None | -2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 783 | 25 | 9 | 7 | 2.1 | CCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
137637283 | 155956 | 0 | None | -2 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 984 | 15 | 12 | 10 | -0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4061566 | 155956 | 0 | None | -2 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 984 | 15 | 12 | 10 | -0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL2371968 | 210142 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
CHEMBL2371970 | 210144 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C2CCCCC2)NC1=O | 10.1021/jm0614275 | ||||
90643808 | 111720 | 0 | None | 7 | 5 | Mouse | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 747 | 16 | 7 | 8 | 1.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287328 | 111720 | 0 | None | 7 | 5 | Mouse | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 747 | 16 | 7 | 8 | 1.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
1324 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16154396 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16197727 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
44285019 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
57514683 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
91898441 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL441738 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
DB04931 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
1324 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16154396 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16197727 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
44285019 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
57514683 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
91898441 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
CHEMBL441738 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
DB04931 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
1324 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
16154396 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
16197727 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
44285019 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
57514683 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
91898441 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL441738 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
DB04931 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
122184635 | 122408 | 0 | None | 2 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600916 | 122408 | 0 | None | 2 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
90643804 | 111717 | 0 | None | 2 | 5 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 839 | 16 | 7 | 8 | 1.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287324 | 111717 | 0 | None | 2 | 5 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 839 | 16 | 7 | 8 | 1.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0492756 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0492756 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0492756 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0492756 | ||||
CHEMBL2096742 | 209183 | 0 | None | 1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm801300c | ||||
CHEMBL428615 | 213437 | 0 | None | -70 | 5 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
155553683 | 174159 | 0 | None | -4 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 746 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4547556 | 174159 | 0 | None | -4 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 746 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL1688107 | 208811 | 0 | None | -8 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
CHEMBL491870 | 214054 | 0 | None | -3 | 5 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL2371963 | 210137 | 0 | None | 295 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | ||||
CHEMBL500743 | 214101 | 0 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
CHEMBL322610 | 211211 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
155555217 | 174313 | 0 | None | 6 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 775 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4550976 | 174313 | 0 | None | 6 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 775 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
118722939 | 116214 | 0 | None | -3 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358547 | 116214 | 0 | None | -3 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL2370966 | 209946 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
118722940 | 116215 | 0 | None | -2 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCn2cc(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358548 | 116215 | 0 | None | -2 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCn2cc(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358537 | 211545 | 0 | None | -7 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | C#CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||||
145976863 | 163734 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 879 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4205548 | 163734 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 879 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL503229 | 214140 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm801300c | ||||
CHEMBL443071 | 213897 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
118722935 | 116210 | 0 | None | -1 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358543 | 116210 | 0 | None | -1 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
11787684 | 70245 | 0 | None | -3 | 4 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 811 | 27 | 9 | 7 | 2.9 | CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL194217 | 70245 | 0 | None | -3 | 4 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 811 | 27 | 9 | 7 | 2.9 | CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL3752534 | 212193 | 1 | None | -25 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.5b01285 | ||||
10483153 | 60781 | 0 | None | -87 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761873 | 60781 | 0 | None | -87 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
49862377 | 15009 | 0 | None | -40 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 654 | 9 | 0 | 6 | 6.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209320 | 15009 | 0 | None | -40 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 654 | 9 | 0 | 6 | 6.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 | 10.1016/j.bmcl.2010.06.038 | ||
137632948 | 156558 | 0 | None | -4 | 2 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4068643 | 156558 | 0 | None | -4 | 2 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
44401319 | 12250 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1184826 | 12250 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028959 | 12250 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL407213 | 212625 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | ||||
155555947 | 174488 | 0 | None | -77 | 3 | Mouse | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 592 | 14 | 7 | 6 | -0.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4555150 | 174488 | 0 | None | -77 | 3 | Mouse | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 592 | 14 | 7 | 6 | -0.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
11017471 | 31887 | 0 | None | -295 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnc(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)n1 | 10.1021/jm025539h | ||
CHEMBL140738 | 31887 | 0 | None | -295 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnc(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)n1 | 10.1021/jm025539h | ||
44448629 | 167439 | 0 | None | -91 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL429854 | 167439 | 0 | None | -91 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL50056 | 214096 | 2 | None | -8 | 7 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL50056 | 214096 | 2 | None | -8 | 7 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
164621851 | 185837 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 529 | 13 | 3 | 3 | 5.8 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4867949 | 185837 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 529 | 13 | 3 | 3 | 5.8 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
45487296 | 197302 | 0 | None | -8 | 3 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 635 | 18 | 8 | 7 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568836 | 197302 | 0 | None | -8 | 3 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 635 | 18 | 8 | 7 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
45487416 | 196994 | 0 | None | -9 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 605 | 17 | 9 | 7 | -0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL567039 | 196994 | 0 | None | -9 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 605 | 17 | 9 | 7 | -0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL3600833 | 211791 | 0 | None | -9 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
137633806 | 156457 | 0 | None | -38 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1031 | 14 | 14 | 13 | -2.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4067491 | 156457 | 0 | None | -38 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1031 | 14 | 14 | 13 | -2.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
155563055 | 175271 | 0 | None | -2 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 686 | 18 | 9 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4573041 | 175271 | 0 | None | -2 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 686 | 18 | 9 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL319871 | 211201 | 0 | None | 2 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL2323791 | 209494 | 0 | None | 4 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
44441637 | 94020 | 0 | None | -4 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 506 | 7 | 2 | 4 | 4.3 | CC(C)C1(CC#N)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL248892 | 94020 | 0 | None | -4 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 506 | 7 | 2 | 4 | 4.3 | CC(C)C1(CC#N)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
44441685 | 94103 | 0 | None | -4 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 585 | 7 | 3 | 5 | 3.5 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCC(C)(C)CC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL249322 | 94103 | 0 | None | -4 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 585 | 7 | 3 | 5 | 3.5 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCC(C)(C)CC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL319922 | 211202 | 0 | None | 1 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL2448525 | 210476 | 0 | None | -177 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
CHEMBL102391 | 208432 | 0 | None | 2 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
45487404 | 197413 | 0 | None | -2344 | 5 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 603 | 18 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569694 | 197413 | 0 | None | -2344 | 5 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 603 | 18 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44408388 | 140298 | 0 | None | -45 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 646 | 8 | 2 | 5 | 5.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL380635 | 140298 | 0 | None | -45 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 646 | 8 | 2 | 5 | 5.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
155547842 | 173672 | 0 | None | -50 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 741 | 17 | 10 | 7 | -1.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4535510 | 173672 | 0 | None | -50 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 741 | 17 | 10 | 7 | -1.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
44448479 | 155347 | 0 | None | -9 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL403420 | 155347 | 0 | None | -9 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
44310242 | 156285 | 0 | None | 16 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
91932912 | 156285 | 0 | None | 16 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL406550 | 156285 | 0 | None | 16 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL2323529 | 209487 | 0 | None | -1 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
168285801 | 191457 | 0 | None | -2 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5193501 | 191457 | 0 | None | -2 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
164623712 | 185633 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 537 | 13 | 3 | 3 | 5.3 | CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4864765 | 185633 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 537 | 13 | 3 | 3 | 5.3 | CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
11061068 | 31262 | 0 | None | -295 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm025539h | ||
CHEMBL140154 | 31262 | 0 | None | -295 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm025539h | ||
45487407 | 196945 | 0 | None | -7 | 3 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccccc1/C=C/C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL566545 | 196945 | 0 | None | -7 | 3 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccccc1/C=C/C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
155561743 | 175748 | 0 | None | 3 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 718 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4583714 | 175748 | 0 | None | 3 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 718 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
155566298 | 175769 | 0 | None | 3 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 683 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4584189 | 175769 | 0 | None | 3 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 683 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
164624151 | 185774 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866885 | 185774 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164626157 | 186368 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4875776 | 186368 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137653704 | 158609 | 0 | None | -3 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 838 | 18 | 8 | 7 | 2.2 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4092424 | 158609 | 0 | None | -3 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 838 | 18 | 8 | 7 | 2.2 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155550338 | 174284 | 0 | None | -18 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 649 | 17 | 10 | 7 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4550246 | 174284 | 0 | None | -18 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 649 | 17 | 10 | 7 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL2369131 | 209570 | 0 | None | -3 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
137638778 | 156734 | 0 | None | -81 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1053 | 18 | 14 | 15 | -2.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4070639 | 156734 | 0 | None | -81 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1053 | 18 | 14 | 15 | -2.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
145966490 | 164338 | 0 | None | -3 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 839 | 11 | 12 | 9 | -1.2 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4212762 | 164338 | 0 | None | -3 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 839 | 11 | 12 | 9 | -1.2 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
145975465 | 163925 | 0 | None | -23 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 825 | 11 | 12 | 9 | -1.6 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4207725 | 163925 | 0 | None | -23 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 825 | 11 | 12 | 9 | -1.6 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
164623811 | 185876 | 0 | None | 1 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 614 | 11 | 4 | 4 | 6.2 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4868636 | 185876 | 0 | None | 1 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 614 | 11 | 4 | 4 | 6.2 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
155538472 | 173227 | 0 | None | 2 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 664 | 14 | 6 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4524668 | 173227 | 0 | None | 2 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 664 | 14 | 6 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL427629 | 213334 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
54584302 | 60782 | 0 | None | -53 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761874 | 60782 | 0 | None | -53 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
44401315 | 12249 | 0 | None | -48 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1184825 | 12249 | 0 | None | -48 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028957 | 12249 | 0 | None | -48 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
90661465 | 77133 | 0 | None | -46 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 693 | 9 | 5 | 6 | 4.0 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3CC3)CN2)CC1.CC(F)(F)C(=O)O | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028958 | 77133 | 0 | None | -46 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 693 | 9 | 5 | 6 | 4.0 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3CC3)CN2)CC1.CC(F)(F)C(=O)O | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2078649 | 77133 | 0 | None | -46 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 693 | 9 | 5 | 6 | 4.0 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3CC3)CN2)CC1.CC(F)(F)C(=O)O | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2304247 | 209461 | 0 | None | -229 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
CHEMBL589515 | 215777 | 0 | None | -2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmc.2009.12.010 | ||||
46885368 | 7924 | 0 | None | -13 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 470 | 6 | 1 | 3 | 4.8 | CCCCN1C[C@H](c2ccc(F)cc2F)[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3ccccc3)[C@H](C)C2)C1 | 10.1021/jm9017866 | ||
CHEMBL1090484 | 7924 | 0 | None | -13 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 470 | 6 | 1 | 3 | 4.8 | CCCCN1C[C@H](c2ccc(F)cc2F)[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3ccccc3)[C@H](C)C2)C1 | 10.1021/jm9017866 | ||
44305885 | 203065 | 0 | None | 1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 474 | 13 | 4 | 4 | 3.5 | NCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL63867 | 203065 | 0 | None | 1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 474 | 13 | 4 | 4 | 3.5 | NCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
122184911 | 122530 | 0 | None | -8 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601429 | 122530 | 0 | None | -8 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00318-4 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00318-4 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00318-4 | ||||
164610489 | 184531 | 0 | None | 1 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 600 | 10 | 4 | 4 | 5.8 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4848322 | 184531 | 0 | None | 1 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 600 | 10 | 4 | 4 | 5.8 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL228194 | 209430 | 0 | None | -12 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
46885863 | 8440 | 0 | None | -41 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 446 | 3 | 1 | 3 | 3.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL1093858 | 8440 | 0 | None | -41 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 446 | 3 | 1 | 3 | 3.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL3601431 | 211804 | 0 | None | 1 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
122184575 | 122401 | 0 | None | -2 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600836 | 122401 | 0 | None | -2 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
51350911 | 58774 | 0 | None | -2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53322399 | 58774 | 0 | None | -2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932357 | 58774 | 0 | None | -2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688109 | 58774 | 0 | None | -2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL602651 | 215795 | 0 | None | -1 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 | 10.1016/j.bmc.2009.12.010 | ||||
162671821 | 182879 | 0 | None | 3 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 725 | 17 | 8 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4792291 | 182879 | 0 | None | 3 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 725 | 17 | 8 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
137648053 | 157515 | 0 | None | 3 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 934 | 12 | 11 | 10 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4080169 | 157515 | 0 | None | 3 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 934 | 12 | 11 | 10 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL343094 | 211674 | 0 | None | 1 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2003.08.078 | ||||
16725559 | 94960 | 0 | None | -1230 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL254757 | 94960 | 0 | None | -1230 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
164613912 | 184737 | 0 | None | 6 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 523 | 12 | 3 | 3 | 4.9 | CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4851040 | 184737 | 0 | None | 6 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 523 | 12 | 3 | 3 | 4.9 | CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
137640475 | 157063 | 0 | None | -36 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 870 | 16 | 7 | 6 | 2.9 | CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4074368 | 157063 | 0 | None | -36 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 870 | 16 | 7 | 6 | 2.9 | CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
46232220 | 201031 | 0 | None | -4 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 835 | 12 | 9 | 8 | -0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602652 | 201031 | 0 | None | -4 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 835 | 12 | 9 | 8 | -0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
45487295 | 197351 | 0 | None | -9 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 617 | 18 | 8 | 7 | 0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569221 | 197351 | 0 | None | -9 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 617 | 18 | 8 | 7 | 0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44448590 | 95570 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL257759 | 95570 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL432895 | 213612 | 4 | None | 1 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL3601426 | 211803 | 0 | None | -17 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL3600832 | 211790 | 0 | None | -3 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL2371965 | 210139 | 0 | None | 331 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
132180597 | 156147 | 0 | None | -23 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 15 | 8 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4063911 | 156147 | 0 | None | -23 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 15 | 8 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
16132144 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | ||||
16133793 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | ||||
44273719 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | ||||
CHEMBL214332 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | ||||
16132144 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | ||||
16133793 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | ||||
44273719 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | ||||
CHEMBL214332 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | ||||
16132144 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
16133793 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
44273719 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
CHEMBL214332 | 209256 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
CHEMBL451423 | 213945 | 0 | None | -1 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
145964017 | 164017 | 0 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 915 | 11 | 12 | 9 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4208874 | 164017 | 0 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 915 | 11 | 12 | 9 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
10146211 | 64299 | 0 | None | -61 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 649 | 10 | 2 | 6 | 3.6 | CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
CHEMBL181162 | 64299 | 0 | None | -61 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 649 | 10 | 2 | 6 | 3.6 | CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
44347221 | 16603 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL124169 | 16603 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
9852256 | 175343 | 0 | None | -4 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 632 | 15 | 8 | 7 | 0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4574756 | 175343 | 0 | None | -4 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 632 | 15 | 8 | 7 | 0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
164609931 | 184473 | 0 | None | 3 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 529 | 12 | 3 | 3 | 5.6 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4847357 | 184473 | 0 | None | 3 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 529 | 12 | 3 | 3 | 5.6 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
44457021 | 97873 | 0 | None | -9 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 399 | 6 | 4 | 3 | 2.2 | N=C(N)NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL272439 | 97873 | 0 | None | -9 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 399 | 6 | 4 | 3 | 2.2 | N=C(N)NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
44441646 | 154064 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 611 | 9 | 2 | 7 | 3.7 | Cn1nnnc1CC1(Cc2ccccc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL398487 | 154064 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 611 | 9 | 2 | 7 | 3.7 | Cn1nnnc1CC1(Cc2ccccc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
45487288 | 197333 | 0 | None | -14 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 623 | 16 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(F)cc1F)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569076 | 197333 | 0 | None | -14 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 623 | 16 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(F)cc1F)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
46885815 | 7828 | 0 | None | -389 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 471 | 3 | 1 | 4 | 4.2 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1 | 10.1021/jm9017866 | ||
CHEMBL1089830 | 7828 | 0 | None | -389 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 471 | 3 | 1 | 4 | 4.2 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1 | 10.1021/jm9017866 | ||
145964837 | 164323 | 0 | None | -3 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 875 | 11 | 12 | 9 | -0.5 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4212629 | 164323 | 0 | None | -3 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 875 | 11 | 12 | 9 | -0.5 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
137656489 | 159686 | 0 | None | 1 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1125 | 13 | 13 | 12 | -1.2 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4104402 | 159686 | 0 | None | 1 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1125 | 13 | 13 | 12 | -1.2 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
162666503 | 182206 | 0 | None | -16 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 696 | 15 | 7 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4783292 | 182206 | 0 | None | -16 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 696 | 15 | 7 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
155558348 | 175012 | 0 | None | 5 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 677 | 19 | 9 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4567480 | 175012 | 0 | None | 5 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 677 | 19 | 9 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
132180653 | 175035 | 0 | None | -17 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 15 | 8 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4567961 | 175035 | 0 | None | -17 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 15 | 8 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL420167 | 213219 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||||
CHEMBL427205 | 213329 | 0 | None | -1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | ||||
164624627 | 185855 | 0 | None | 2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 589 | 10 | 4 | 4 | 4.4 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4868223 | 185855 | 0 | None | 2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 589 | 10 | 4 | 4 | 4.4 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44431512 | 145899 | 0 | None | -5 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1038 | 14 | 12 | 10 | 0.9 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
CHEMBL391796 | 145899 | 0 | None | -5 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1038 | 14 | 12 | 10 | 0.9 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
46885759 | 8244 | 0 | None | -295 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1cccc(F)c1 | 10.1021/jm9017866 | ||
CHEMBL1092548 | 8244 | 0 | None | -295 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1cccc(F)c1 | 10.1021/jm9017866 | ||
164628926 | 186489 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 543 | 14 | 3 | 3 | 6.2 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4877537 | 186489 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 543 | 14 | 3 | 3 | 6.2 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL3349030 | 211382 | 0 | None | -8 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
71449119 | 78939 | 0 | None | -117 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 643 | 7 | 3 | 6 | 4.2 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNCCN2C(=O)OC(C)(C)C)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2113028 | 78939 | 0 | None | -117 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 643 | 7 | 3 | 6 | 4.2 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNCCN2C(=O)OC(C)(C)C)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
155538874 | 172766 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 713 | 16 | 8 | 7 | -1.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4513460 | 172766 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 713 | 16 | 8 | 7 | -1.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
137649203 | 157484 | 0 | None | -10 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 894 | 18 | 8 | 8 | 3.5 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4079721 | 157484 | 0 | None | -10 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 894 | 18 | 8 | 8 | 3.5 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
45487289 | 197338 | 0 | None | -10 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 590 | 17 | 8 | 7 | -0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569104 | 197338 | 0 | None | -10 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 590 | 17 | 8 | 7 | -0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL2304250 | 209463 | 0 | None | -2 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
CHEMBL431242 | 213601 | 0 | None | 1 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
45487408 | 196831 | 0 | None | -5 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccc(/C=C\C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565927 | 196831 | 0 | None | -5 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccc(/C=C\C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1016/j.bmcl.2009.07.025 | ||
164616640 | 184541 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 543 | 13 | 3 | 3 | 6.0 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4848447 | 184541 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 543 | 13 | 3 | 3 | 6.0 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL268851 | 210746 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||||
71449047 | 78451 | 0 | None | -40 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL2111807 | 78451 | 0 | None | -40 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
44401323 | 11768 | 0 | None | -72 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 569 | 7 | 4 | 5 | 3.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNC3(CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1181891 | 11768 | 0 | None | -72 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 569 | 7 | 4 | 5 | 3.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNC3(CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028961 | 11768 | 0 | None | -72 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 569 | 7 | 4 | 5 | 3.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNC3(CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
6918813 | 131345 | 3 | None | -398 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL368876 | 131345 | 3 | None | -398 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
45487291 | 197350 | 0 | None | -6 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 605 | 16 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C(F)=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569220 | 197350 | 0 | None | -6 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 605 | 16 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C(F)=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
11328898 | 7928 | 22 | None | -165 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 470 | 3 | 1 | 3 | 4.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1090488 | 7928 | 22 | None | -165 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 470 | 3 | 1 | 3 | 4.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1204059 | 7928 | 22 | None | -165 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 470 | 3 | 1 | 3 | 4.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
44441687 | 93976 | 0 | None | -43 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 571 | 7 | 3 | 5 | 3.3 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3(C)CCCCC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL248671 | 93976 | 0 | None | -43 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 571 | 7 | 3 | 5 | 3.3 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3(C)CCCCC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
44396986 | 67402 | 0 | None | -43 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL188966 | 67402 | 0 | None | -43 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL2304246 | 209460 | 0 | None | -3 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
145971389 | 164609 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 851 | 11 | 12 | 9 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4216242 | 164609 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 851 | 11 | 12 | 9 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
15603023 | 97936 | 0 | None | 1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 849 | 12 | 10 | 8 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL272660 | 97936 | 0 | None | 1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 849 | 12 | 10 | 8 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm701303z | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm701303z | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm701303z | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm701303z | ||||
CHEMBL444219 | 213907 | 0 | None | -4 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
127046235 | 139613 | 0 | None | 2 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1004 | 36 | 12 | 13 | -1.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3797690 | 139613 | 0 | None | 2 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1004 | 36 | 12 | 13 | -1.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
137656180 | 159004 | 0 | None | 5 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1005 | 12 | 12 | 11 | -2.0 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4096678 | 159004 | 0 | None | 5 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1005 | 12 | 12 | 11 | -2.0 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
155543031 | 173157 | 0 | None | -3 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 803 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4522298 | 173157 | 0 | None | -3 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 803 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL406891 | 212603 | 0 | None | 2 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
CHEMBL1688107 | 208811 | 0 | None | -8 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||||
1325 | 3573 | 14 | None | -3 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
6440621 | 3573 | 14 | None | -3 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
9898183 | 3573 | 14 | None | -3 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL3422426 | 3573 | 14 | None | -3 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL3287327 | 211287 | 0 | None | 1 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||||
44400428 | 125651 | 0 | None | -2 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 896 | 35 | 9 | 7 | 6.1 | CCCCCCCCCCCCCCCCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL364726 | 125651 | 0 | None | -2 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 896 | 35 | 9 | 7 | 6.1 | CCCCCCCCCCCCCCCCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
44422999 | 168831 | 0 | None | 4 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1040 | 15 | 9 | 10 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||
CHEMBL438118 | 168831 | 0 | None | 4 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1040 | 15 | 9 | 10 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||
CHEMBL502093 | 214126 | 0 | None | -2 | 3 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
1324 | 301 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16154396 | 301 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16197727 | 301 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
44285019 | 301 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
57514683 | 301 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
91898441 | 301 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL441738 | 301 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
DB04931 | 301 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL370254 | 212143 | 3 | None | 6 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm0490843 | ||||
11263053 | 67991 | 0 | None | -3 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 896 | 33 | 9 | 7 | 5.3 | CCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL191304 | 67991 | 0 | None | -3 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 896 | 33 | 9 | 7 | 5.3 | CCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL448536 | 213936 | 0 | None | -1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
11423083 | 96810 | 0 | None | -3 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 882 | 32 | 9 | 7 | 4.9 | CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL265236 | 96810 | 0 | None | -3 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 882 | 32 | 9 | 7 | 4.9 | CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
145948876 | 167459 | 0 | None | -5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
CHEMBL4299441 | 167459 | 0 | None | -5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
44456964 | 156666 | 0 | None | -1 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 849 | 12 | 10 | 8 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL406985 | 156666 | 0 | None | -1 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 849 | 12 | 10 | 8 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL204864 | 209143 | 0 | None | -4 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | ||||
137651071 | 157443 | 0 | None | -25 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 794 | 15 | 7 | 6 | 1.3 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4079298 | 157443 | 0 | None | -25 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 794 | 15 | 7 | 6 | 1.3 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL438920 | 213786 | 0 | None | -26 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL433645 | 213620 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||||
CHEMBL409636 | 212750 | 0 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm030119t | ||||
CHEMBL375947 | 212209 | 0 | None | -1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
155512534 | 169668 | 0 | None | -22 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 642 | 16 | 7 | 6 | 1.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4437801 | 169668 | 0 | None | -22 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 642 | 16 | 7 | 6 | 1.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL320157 | 211203 | 0 | None | 1 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
44391940 | 12218 | 0 | None | -21 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 614 | 8 | 4 | 6 | 2.1 | C[C@H](N)C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1184624 | 12218 | 0 | None | -21 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 614 | 8 | 4 | 6 | 2.1 | C[C@H](N)C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2145456 | 12218 | 0 | None | -21 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 614 | 8 | 4 | 6 | 2.1 | C[C@H](N)C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
46203215 | 8438 | 0 | None | -27 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 428 | 3 | 1 | 3 | 3.6 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1093856 | 8438 | 0 | None | -27 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 428 | 3 | 1 | 3 | 3.6 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1204065 | 8438 | 0 | None | -27 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 428 | 3 | 1 | 3 | 3.6 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
44305712 | 102787 | 0 | None | -1 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 421 | 11 | 5 | 3 | 2.8 | NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL305391 | 102787 | 0 | None | -1 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 421 | 11 | 5 | 3 | 2.8 | NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
44359732 | 29044 | 0 | None | -2 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 720 | 19 | 3 | 6 | 2.6 | CC(=O)N(CC(=O)N(CC(=O)N(CCCCN=C(N)N)CC(=O)N(CC(N)=O)Cc1cccc2ccccc12)Cc1ccccc1)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL138100 | 29044 | 0 | None | -2 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 720 | 19 | 3 | 6 | 2.6 | CC(=O)N(CC(=O)N(CC(=O)N(CCCCN=C(N)N)CC(=O)N(CC(N)=O)Cc1cccc2ccccc12)Cc1ccccc1)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
164616687 | 184600 | 0 | None | 11 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 523 | 13 | 3 | 3 | 5.0 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4849344 | 184600 | 0 | None | 11 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 523 | 13 | 3 | 3 | 5.0 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL2323793 | 209496 | 0 | None | -27 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
44335147 | 4560 | 0 | None | 4 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 711 | 16 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm010524p | ||
CHEMBL102688 | 4560 | 0 | None | 4 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 711 | 16 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm010524p | ||
CHEMBL524861 | 215600 | 0 | None | 3 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
54587278 | 60788 | 0 | None | -138 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 587 | 6 | 3 | 4 | 4.7 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1762009 | 60788 | 0 | None | -138 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 587 | 6 | 3 | 4 | 4.7 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
137639815 | 156778 | 0 | None | -3 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 847 | 20 | 11 | 8 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4071063 | 156778 | 0 | None | -3 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 847 | 20 | 11 | 8 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
6918780 | 63437 | 1 | None | -204 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 637 | 10 | 2 | 6 | 3.6 | CCCN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.01.060 | ||
CHEMBL179836 | 63437 | 1 | None | -204 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 637 | 10 | 2 | 6 | 3.6 | CCCN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.01.060 | ||
44347220 | 168416 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 861 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL434985 | 168416 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 861 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL2370965 | 209945 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
CHEMBL607104 | 215805 | 0 | None | 2 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
164621664 | 185543 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 537 | 14 | 3 | 3 | 5.4 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4863313 | 185543 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 537 | 14 | 3 | 3 | 5.4 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL454736 | 213974 | 0 | None | 4 | 2 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
CHEMBL50056 | 214096 | 2 | None | -8 | 7 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
44347331 | 16295 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
CHEMBL122773 | 16295 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
44441641 | 94272 | 0 | None | -134 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL250508 | 94272 | 0 | None | -134 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL3350327 | 211447 | 0 | None | -13 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
44310258 | 159394 | 0 | None | 2 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
91932908 | 159394 | 0 | None | 2 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL410091 | 159394 | 0 | None | 2 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL500516 | 214094 | 0 | None | -1 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
45487413 | 197228 | 0 | None | -1 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 616 | 15 | 10 | 7 | -0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568409 | 197228 | 0 | None | -1 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 616 | 15 | 10 | 7 | -0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44445083 | 154281 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL398665 | 154281 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
164609002 | 184361 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4845749 | 184361 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
9808720 | 64192 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 595 | 8 | 3 | 6 | 2.8 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
CHEMBL180892 | 64192 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 595 | 8 | 3 | 6 | 2.8 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
45487287 | 197626 | 0 | None | -3 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 633 | 17 | 8 | 8 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2c1OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL570903 | 197626 | 0 | None | -3 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 633 | 17 | 8 | 8 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2c1OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
46232224 | 201033 | 0 | None | -2 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 849 | 12 | 9 | 8 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602654 | 201033 | 0 | None | -2 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 849 | 12 | 9 | 8 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
45487300 | 197336 | 0 | None | -7 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 605 | 15 | 8 | 8 | -0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569086 | 197336 | 0 | None | -7 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 605 | 15 | 8 | 8 | -0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
122184637 | 122410 | 0 | None | -1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600918 | 122410 | 0 | None | -1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
155565321 | 175552 | 0 | None | -7 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 718 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4579448 | 175552 | 0 | None | -7 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 718 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
44347331 | 16295 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
CHEMBL122773 | 16295 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
CHEMBL509582 | 215523 | 0 | None | -6 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | ||||
44401585 | 13731 | 0 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1195347 | 13731 | 0 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL554368 | 13731 | 0 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
15953833 | 78945 | 0 | None | -57 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL2113037 | 78945 | 0 | None | -57 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
155548791 | 173706 | 0 | None | -30 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 664 | 14 | 6 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4536340 | 173706 | 0 | None | -30 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 664 | 14 | 6 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
162670795 | 182802 | 0 | None | -14 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 696 | 15 | 7 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4791112 | 182802 | 0 | None | -14 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 696 | 15 | 7 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
1323 | 2669 | 55 | None | -181 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
137649368 | 157382 | 0 | None | -35 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4078495 | 157382 | 0 | None | -35 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
44441644 | 154814 | 0 | None | -66 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CCC(C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL400456 | 154814 | 0 | None | -66 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CCC(C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL2310901 | 209475 | 0 | None | -20 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL455070 | 213976 | 0 | None | -25 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | ||||
44457067 | 97714 | 0 | None | -5 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 877 | 12 | 10 | 8 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)NCCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL271586 | 97714 | 0 | None | -5 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 877 | 12 | 10 | 8 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)NCCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
162654633 | 180620 | 0 | None | -29 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4754987 | 180620 | 0 | None | -29 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
137636060 | 156207 | 0 | None | -2 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 850 | 15 | 7 | 7 | 2.5 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4064728 | 156207 | 0 | None | -2 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 850 | 15 | 7 | 7 | 2.5 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
44335147 | 4560 | 0 | None | 4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 711 | 16 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm010524p | ||
CHEMBL102688 | 4560 | 0 | None | 4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 711 | 16 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm010524p | ||
CHEMBL3350396 | 211456 | 0 | None | -371 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm960845e | ||||
CHEMBL376614 | 212229 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL2323790 | 209493 | 0 | None | -8 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
137653916 | 158556 | 0 | None | -3 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 828 | 18 | 9 | 8 | 1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4091894 | 158556 | 0 | None | -3 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 828 | 18 | 9 | 8 | 1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155567887 | 176024 | 0 | None | -1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 676 | 19 | 10 | 7 | -1.1 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4590532 | 176024 | 0 | None | -1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 676 | 19 | 10 | 7 | -1.1 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL263878 | 210575 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
CHEMBL3349030 | 211382 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
44392015 | 12746 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1187982 | 12746 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL3216179 | 12746 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
1338 | 3778 | 43 | None | -660 | 8 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/s0960-894x(03)00796-0 | ||
9938402 | 3778 | 43 | None | -660 | 8 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/s0960-894x(03)00796-0 | ||
CHEMBL339053 | 3778 | 43 | None | -660 | 8 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/s0960-894x(03)00796-0 | ||
155545201 | 173423 | 0 | None | -1 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 602 | 14 | 6 | 7 | -0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4529287 | 173423 | 0 | None | -1 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 602 | 14 | 6 | 7 | -0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
10864861 | 115174 | 4 | None | -128 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm025539h | ||
CHEMBL334457 | 115174 | 4 | None | -128 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm025539h | ||
45487411 | 197022 | 0 | None | -10 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 603 | 16 | 9 | 7 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(O)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL567240 | 197022 | 0 | None | -10 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 603 | 16 | 9 | 7 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(O)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL266417 | 210660 | 0 | None | -776 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | ||||
CHEMBL2370963 | 209943 | 0 | None | 85 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
44408190 | 96894 | 0 | None | -46 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 606 | 8 | 2 | 5 | 4.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL265985 | 96894 | 0 | None | -46 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 606 | 8 | 2 | 5 | 4.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
10257242 | 14998 | 0 | None | -42 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 560 | 7 | 0 | 4 | 5.1 | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209252 | 14998 | 0 | None | -42 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 560 | 7 | 0 | 4 | 5.1 | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL430843 | 213598 | 0 | None | 2 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
122178163 | 121231 | 0 | None | -2 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 998 | 10 | 10 | 10 | 0.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)c2cc3ccccc3cc2NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | ||
CHEMBL3577992 | 121231 | 0 | None | -2 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 998 | 10 | 10 | 10 | 0.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)c2cc3ccccc3cc2NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | ||
155554244 | 174925 | 0 | None | -15 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 630 | 15 | 8 | 7 | -0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4565607 | 174925 | 0 | None | -15 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 630 | 15 | 8 | 7 | -0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
44305763 | 203063 | 0 | None | -1 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 490 | 11 | 5 | 4 | 3.1 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCC(Cc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL63850 | 203063 | 0 | None | -1 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 490 | 11 | 5 | 4 | 3.1 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCC(Cc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL2323786 | 209489 | 0 | None | -2 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
16132144 | 209256 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00796-0 | ||||
16133793 | 209256 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00796-0 | ||||
44273719 | 209256 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00796-0 | ||||
CHEMBL214332 | 209256 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00796-0 | ||||
137646614 | 157514 | 0 | None | -8 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 822 | 18 | 9 | 7 | 0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4080138 | 157514 | 0 | None | -8 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 822 | 18 | 9 | 7 | 0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
46232222 | 201032 | 0 | None | -4 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 835 | 12 | 8 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602653 | 201032 | 0 | None | -4 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 835 | 12 | 8 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
44441648 | 154667 | 0 | None | -41 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 605 | 8 | 2 | 8 | 2.9 | Cn1nnnc1CC1(C2CCOCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL399715 | 154667 | 0 | None | -41 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 605 | 8 | 2 | 8 | 2.9 | Cn1nnnc1CC1(C2CCOCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
137635422 | 155886 | 0 | None | -72 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1111 | 22 | 15 | 16 | -2.3 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4060816 | 155886 | 0 | None | -72 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1111 | 22 | 15 | 16 | -2.3 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||||
90643805 | 111718 | 0 | None | -1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287325 | 111718 | 0 | None | -1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||
155544214 | 173307 | 0 | None | 1 | 3 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 797 | 20 | 11 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4526652 | 173307 | 0 | None | 1 | 3 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 797 | 20 | 11 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155549760 | 173853 | 0 | None | -7 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 711 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4539621 | 173853 | 0 | None | -7 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 711 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155550083 | 173890 | 0 | None | 5 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 775 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4540411 | 173890 | 0 | None | 5 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 775 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
11308957 | 69364 | 0 | None | -1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 868 | 31 | 9 | 7 | 4.5 | CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL193151 | 69364 | 0 | None | -1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 868 | 31 | 9 | 7 | 4.5 | CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||||
127047475 | 139724 | 0 | None | 1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1630 | 54 | 21 | 19 | -1.2 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
132991507 | 139724 | 0 | None | 1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1630 | 54 | 21 | 19 | -1.2 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3798421 | 139724 | 0 | None | 1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1630 | 54 | 21 | 19 | -1.2 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL439128 | 213802 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
CHEMBL3358533 | 211544 | 0 | None | -7 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | C#CC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL393075 | 212439 | 0 | None | -20 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2007.02.020 | ||||
11239907 | 133102 | 0 | None | -5 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 854 | 30 | 9 | 7 | 4.1 | CCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL370261 | 133102 | 0 | None | -5 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 854 | 30 | 9 | 7 | 4.1 | CCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
155564058 | 175310 | 0 | None | -16 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 746 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4574056 | 175310 | 0 | None | -16 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 746 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
162673830 | 183135 | 0 | None | -15 | 3 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 753 | 18 | 10 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4795352 | 183135 | 0 | None | -15 | 3 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 753 | 18 | 10 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL2370964 | 209944 | 0 | None | -10 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c01295 | ||||
CHEMBL4299619 | 213572 | 0 | None | 2 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL2370964 | 209944 | 0 | None | -10 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c01295 | ||||
CHEMBL264190 | 210585 | 1 | None | -3 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||||
127047913 | 139899 | 0 | None | 4 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 962 | 35 | 12 | 13 | -1.5 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3799563 | 139899 | 0 | None | 4 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 962 | 35 | 12 | 13 | -1.5 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
164612516 | 185369 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4860714 | 185369 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL510687 | 215564 | 0 | None | -3 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
155556047 | 174473 | 0 | None | 1 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 683 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4554828 | 174473 | 0 | None | 1 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 683 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL203602 | 209137 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm0510326 | ||||
155531140 | 171594 | 0 | None | 1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 666 | 16 | 8 | 7 | 0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4465466 | 171594 | 0 | None | 1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 666 | 16 | 8 | 7 | 0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
44401530 | 12763 | 0 | None | -51 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1188092 | 12763 | 0 | None | -51 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL535152 | 12763 | 0 | None | -51 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
44347119 | 114396 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 752 | 9 | 10 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL333178 | 114396 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 752 | 9 | 10 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
45487405 | 197414 | 0 | None | -25 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 587 | 16 | 8 | 6 | 0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569695 | 197414 | 0 | None | -25 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 587 | 16 | 8 | 6 | 0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
51350673 | 58770 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53317148 | 58770 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932362 | 58770 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688104 | 58770 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
44305790 | 102813 | 0 | None | -1 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 10 | 5 | 3 | 2.4 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL305559 | 102813 | 0 | None | -1 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 10 | 5 | 3 | 2.4 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
45487294 | 196790 | 0 | None | -3 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 601 | 17 | 8 | 6 | 0.5 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565688 | 196790 | 0 | None | -3 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 601 | 17 | 8 | 6 | 0.5 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL2371973 | 210147 | 0 | None | 57 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(Cc3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
162661724 | 181511 | 0 | None | 2 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 668 | 14 | 5 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4765199 | 181511 | 0 | None | 2 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 668 | 14 | 5 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
162664463 | 182166 | 0 | None | 4 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 706 | 15 | 6 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4782762 | 182166 | 0 | None | 4 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 706 | 15 | 6 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
46232223 | 199141 | 0 | None | -1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 849 | 12 | 9 | 8 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL589468 | 199141 | 0 | None | -1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 849 | 12 | 9 | 8 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL302703 | 210891 | 0 | None | 5 | 5 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
46232228 | 201000 | 0 | None | 3 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 863 | 12 | 8 | 8 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602299 | 201000 | 0 | None | 3 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 863 | 12 | 8 | 8 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
44456958 | 97375 | 0 | None | 2 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 308 | 4 | 1 | 2 | 2.8 | CCCN1C(=O)C(Cc2ccccc2)NC(=O)c2ccccc21 | 10.1021/jm701303z | ||
CHEMBL269837 | 97375 | 0 | None | 2 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 308 | 4 | 1 | 2 | 2.8 | CCCN1C(=O)C(Cc2ccccc2)NC(=O)c2ccccc21 | 10.1021/jm701303z | ||
CHEMBL104880 | 208442 | 0 | None | 1 | 2 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
44305704 | 203314 | 0 | None | -1 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 10 | 5 | 3 | 2.4 | NCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL64954 | 203314 | 0 | None | -1 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 10 | 5 | 3 | 2.4 | NCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
44275650 | 94025 | 0 | None | -83 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 953 | 15 | 12 | 10 | -0.8 | CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL24892 | 94025 | 0 | None | -83 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 953 | 15 | 12 | 10 | -0.8 | CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
1323 | 2669 | 55 | None | -181 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
137645483 | 157594 | 0 | None | 1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 906 | 11 | 11 | 10 | -1.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4081092 | 157594 | 0 | None | 1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 906 | 11 | 11 | 10 | -1.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
44391927 | 13959 | 0 | None | -66 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1196971 | 13959 | 0 | None | -66 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL3216393 | 13959 | 0 | None | -66 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
53318436 | 58773 | 0 | None | -2 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 814 | 17 | 10 | 9 | -0.4 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688108 | 58773 | 0 | None | -2 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 814 | 17 | 10 | 9 | -0.4 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101425m | ||
CHEMBL103817 | 208436 | 0 | None | -2 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
44408286 | 140643 | 0 | None | -117 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 634 | 8 | 2 | 5 | 5.5 | CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381501 | 140643 | 0 | None | -117 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 634 | 8 | 2 | 5 | 5.5 | CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
137658359 | 159547 | 0 | None | -6 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 791 | 20 | 11 | 7 | -1.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4102774 | 159547 | 0 | None | -6 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 791 | 20 | 11 | 7 | -1.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL488355 | 214052 | 0 | None | -3 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
164619151 | 185530 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 610 | 11 | 4 | 4 | 5.5 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4863206 | 185530 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 610 | 11 | 4 | 4 | 5.5 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44401522 | 12752 | 0 | None | -97 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1188041 | 12752 | 0 | None | -97 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL534928 | 12752 | 0 | None | -97 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
44391938 | 11714 | 0 | None | -20 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 599 | 9 | 3 | 5 | 3.9 | CC(C)CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1181567 | 11714 | 0 | None | -20 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 599 | 9 | 3 | 5 | 3.9 | CC(C)CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2145455 | 11714 | 0 | None | -20 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 599 | 9 | 3 | 5 | 3.9 | CC(C)CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
45487417 | 197021 | 0 | None | -8 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccc(/C=C/C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL567233 | 197021 | 0 | None | -8 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccc(/C=C/C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL602650 | 215794 | 0 | None | 2 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 | 10.1016/j.bmc.2009.12.010 | ||||
16157270 | 212530 | 14 | None | -22 | 7 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL405282 | 212530 | 14 | None | -22 | 7 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/acs.jmedchem.5b01894 | ||||
16132144 | 209256 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | ||||
16133793 | 209256 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | ||||
44273719 | 209256 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL214332 | 209256 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL2323799 | 209502 | 0 | None | -22 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
46232225 | 201059 | 0 | None | 4 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 849 | 12 | 8 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602852 | 201059 | 0 | None | 4 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 849 | 12 | 8 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
46885761 | 7996 | 0 | None | -56 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 506 | 3 | 1 | 3 | 5.1 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1F | 10.1021/jm9017866 | ||
CHEMBL1090813 | 7996 | 0 | None | -56 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 506 | 3 | 1 | 3 | 5.1 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1F | 10.1021/jm9017866 | ||
CHEMBL441988 | 213882 | 4 | None | 162 | 2 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||||
162665266 | 182157 | 0 | None | 1 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 668 | 14 | 5 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4782693 | 182157 | 0 | None | 1 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 668 | 14 | 5 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL389674 | 212410 | 0 | None | 1 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
16132144 | 209256 | 36 | None | -81 | 8 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm9017866 | ||||
16133793 | 209256 | 36 | None | -81 | 8 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm9017866 | ||||
44273719 | 209256 | 36 | None | -81 | 8 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm9017866 | ||||
CHEMBL214332 | 209256 | 36 | None | -81 | 8 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm9017866 | ||||
CHEMBL138771 | 208731 | 0 | None | -1 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(=O)N(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||||
44401528 | 13957 | 0 | None | -61 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1196956 | 13957 | 0 | None | -61 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL558787 | 13957 | 0 | None | -61 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
44408253 | 140319 | 0 | None | -141 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 650 | 10 | 2 | 5 | 6.1 | CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C(C)C | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL380727 | 140319 | 0 | None | -141 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 650 | 10 | 2 | 5 | 6.1 | CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C(C)C | 10.1016/j.bmcl.2005.11.095 | ||
46885712 | 8039 | 0 | None | -204 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL1091151 | 8039 | 0 | None | -204 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL1204061 | 8039 | 0 | None | -204 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL104052 | 208439 | 0 | None | -1 | 2 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
46885972 | 8087 | 0 | None | -52 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 4 | 1 | 3 | 4.4 | CC(C)N1C[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3ccccc3)[C@H](C)C2)[C@H](c2ccc(F)cc2F)C1 | 10.1021/jm9017866 | ||
CHEMBL1091631 | 8087 | 0 | None | -52 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 4 | 1 | 3 | 4.4 | CC(C)N1C[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3ccccc3)[C@H](C)C2)[C@H](c2ccc(F)cc2F)C1 | 10.1021/jm9017866 | ||
145980719 | 166472 | 0 | None | 1 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 642 | 17 | 7 | 6 | 1.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
CHEMBL4278563 | 166472 | 0 | None | 1 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 642 | 17 | 7 | 6 | 1.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
44448660 | 94944 | 0 | None | -245 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL254589 | 94944 | 0 | None | -245 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
137637656 | 156214 | 0 | None | -40 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1045 | 20 | 14 | 15 | -2.2 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4064777 | 156214 | 0 | None | -40 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1045 | 20 | 14 | 15 | -2.2 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
164626210 | 186466 | 0 | None | -1 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 670 | 12 | 4 | 4 | 7.0 | CC[C@H](C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4877184 | 186466 | 0 | None | -1 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 670 | 12 | 4 | 4 | 7.0 | CC[C@H](C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44441643 | 154776 | 0 | None | -43 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 591 | 8 | 2 | 7 | 3.9 | Cn1nnnc1CC1(CC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL400252 | 154776 | 0 | None | -43 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 591 | 8 | 2 | 7 | 3.9 | Cn1nnnc1CC1(CC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
44347927 | 157252 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL407680 | 157252 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
162662213 | 181472 | 0 | None | 2 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 706 | 15 | 6 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4764827 | 181472 | 0 | None | 2 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 706 | 15 | 6 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
44457043 | 97584 | 0 | None | -3 | 5 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 883 | 12 | 10 | 8 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL270923 | 97584 | 0 | None | -3 | 5 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 883 | 12 | 10 | 8 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
51350799 | 58771 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53323763 | 58771 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932356 | 58771 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688105 | 58771 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
1334 | 1489 | 7 | None | -17 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1489 | 7 | None | -17 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1489 | 7 | None | -17 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
44310243 | 169163 | 0 | None | 2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
91932909 | 169163 | 0 | None | 2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL440633 | 169163 | 0 | None | 2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
46232221 | 199146 | 0 | None | -1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 835 | 12 | 9 | 8 | -0.1 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL589516 | 199146 | 0 | None | -1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 835 | 12 | 9 | 8 | -0.1 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
44305805 | 100855 | 0 | None | 1 | 2 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 393 | 9 | 5 | 3 | 2.0 | NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL293673 | 100855 | 0 | None | 1 | 2 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 393 | 9 | 5 | 3 | 2.0 | NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||||
127047853 | 139968 | 0 | None | 4 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1948 | 72 | 23 | 25 | -2.1 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3799955 | 139968 | 0 | None | 4 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1948 | 72 | 23 | 25 | -2.1 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2003.08.078 | ||||
155539948 | 172862 | 0 | None | -1 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 705 | 20 | 11 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4515666 | 172862 | 0 | None | -1 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 705 | 20 | 11 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL2370968 | 209948 | 0 | None | -1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c01295 | ||||
CHEMBL2370968 | 209948 | 0 | None | -1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c01295 | ||||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL385465 | 212328 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | ||||
CHEMBL405791 | 212557 | 0 | None | 1 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ncc[nH]2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
11491374 | 67590 | 0 | None | -4 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 840 | 29 | 9 | 7 | 3.7 | CCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL190366 | 67590 | 0 | None | -4 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 840 | 29 | 9 | 7 | 3.7 | CCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
155567399 | 175942 | 0 | None | 17 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 769 | 19 | 9 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4588429 | 175942 | 0 | None | 17 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 769 | 19 | 9 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
11181928 | 166133 | 0 | None | -1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 797 | 26 | 9 | 7 | 2.5 | CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL426282 | 166133 | 0 | None | -1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 797 | 26 | 9 | 7 | 2.5 | CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL3799094 | 212245 | 0 | None | 8 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
137644449 | 158268 | 0 | None | 3 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1016 | 12 | 11 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4088980 | 158268 | 0 | None | 3 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1016 | 12 | 11 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
155542040 | 173054 | 0 | None | -199 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 654 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4519837 | 173054 | 0 | None | -199 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 654 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
155549865 | 173832 | 0 | None | 10 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 658 | 17 | 7 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4539175 | 173832 | 0 | None | 10 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 658 | 17 | 7 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
44408287 | 75357 | 0 | None | -162 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL203911 | 75357 | 0 | None | -162 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
44408275 | 75390 | 0 | None | -47 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL204078 | 75390 | 0 | None | -47 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL3287060 | 211276 | 0 | None | -6 | 5 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL317228 | 211177 | 0 | None | 3 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)c1ccccc1 | 10.1021/jm010524p | ||||
155558598 | 174736 | 0 | None | -1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 656 | 13 | 5 | 6 | -0.3 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4561005 | 174736 | 0 | None | -1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 656 | 13 | 5 | 6 | -0.3 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL2096759 | 209185 | 0 | None | -23 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
137640715 | 156979 | 0 | None | -56 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 850 | 15 | 7 | 7 | 2.5 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4073316 | 156979 | 0 | None | -56 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 850 | 15 | 7 | 7 | 2.5 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
118735100 | 118774 | 0 | None | -91 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 764 | 15 | 9 | 6 | 1.8 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL3421677 | 118774 | 0 | None | -91 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 764 | 15 | 9 | 6 | 1.8 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL104010 | 208438 | 0 | None | -1 | 2 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL2323789 | 209492 | 0 | None | -213 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
CHEMBL2370553 | 209847 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
155566074 | 175710 | 0 | None | -13 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 722 | 15 | 8 | 7 | -1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4582914 | 175710 | 0 | None | -13 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 722 | 15 | 8 | 7 | -1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL106959 | 208451 | 0 | None | -2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm010524p | ||||
145989222 | 167256 | 0 | None | -25 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 676 | 17 | 7 | 6 | 2.2 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
CHEMBL4293365 | 167256 | 0 | None | -25 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 676 | 17 | 7 | 6 | 2.2 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
44457002 | 97544 | 0 | None | 1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 440 | 4 | 1 | 2 | 5.4 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 | 10.1021/jm701303z | ||
CHEMBL270691 | 97544 | 0 | None | 1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 440 | 4 | 1 | 2 | 5.4 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 | 10.1021/jm701303z | ||
44577510 | 188711 | 0 | None | -33 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 893 | 12 | 11 | 11 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL504986 | 188711 | 0 | None | -33 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 893 | 12 | 11 | 11 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
164627532 | 186584 | 0 | None | 18 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 601 | 11 | 3 | 3 | 6.1 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4878922 | 186584 | 0 | None | 18 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 601 | 11 | 3 | 3 | 6.1 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
137657607 | 159612 | 0 | None | -81 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4103567 | 159612 | 0 | None | -81 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
122184576 | 122402 | 0 | None | -32 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600837 | 122402 | 0 | None | -32 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
44401313 | 12255 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1184856 | 12255 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028956 | 12255 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
11273288 | 12928 | 0 | None | -181 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1189370 | 12928 | 0 | None | -181 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL538567 | 12928 | 0 | None | -181 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL410168 | 212781 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
44448631 | 95041 | 0 | None | -91 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL255286 | 95041 | 0 | None | -91 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
102096778 | 58776 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
51351277 | 58776 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
53322400 | 58776 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
91932360 | 58776 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
CHEMBL1688111 | 58776 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
CHEMBL2323794 | 209497 | 0 | None | -5 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
137638218 | 156804 | 0 | None | 2 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 988 | 11 | 11 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4071283 | 156804 | 0 | None | 2 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 988 | 11 | 11 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL2372365 | 210201 | 0 | None | 1 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
44408189 | 168855 | 0 | None | -32 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 619 | 8 | 2 | 4 | 4.6 | CN1CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL438259 | 168855 | 0 | None | -32 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 619 | 8 | 2 | 4 | 4.6 | CN1CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL3600840 | 211794 | 0 | None | -1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL2323798 | 209501 | 0 | None | -15 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
CHEMBL2304248 | 209462 | 0 | None | -2 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
164614821 | 185244 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 608 | 12 | 3 | 3 | 6.9 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4858724 | 185244 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 608 | 12 | 3 | 3 | 6.9 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
45487285 | 196970 | 0 | None | -7 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 627 | 15 | 9 | 7 | 0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL566760 | 196970 | 0 | None | -7 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 627 | 15 | 9 | 7 | 0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
168295131 | 192218 | 0 | None | -7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5205283 | 192218 | 0 | None | -7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
137654884 | 158573 | 0 | None | 3 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 840 | 9 | 10 | 9 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4092082 | 158573 | 0 | None | 3 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 840 | 9 | 10 | 9 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
44408252 | 140644 | 0 | None | -30 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 605 | 8 | 3 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381503 | 140644 | 0 | None | -30 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 605 | 8 | 3 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
164621683 | 185569 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 606 | 12 | 3 | 3 | 6.8 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4863711 | 185569 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 606 | 12 | 3 | 3 | 6.8 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
44441636 | 93983 | 0 | None | -6 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 520 | 9 | 2 | 4 | 4.8 | CCCCC1(CC#N)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL248701 | 93983 | 0 | None | -6 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 520 | 9 | 2 | 4 | 4.8 | CCCCC1(CC#N)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
46232227 | 199147 | 0 | None | 2 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 863 | 12 | 9 | 8 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL589517 | 199147 | 0 | None | 2 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 863 | 12 | 9 | 8 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL3349030 | 211382 | 0 | None | -8 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
49862375 | 15007 | 0 | None | -16 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 624 | 8 | 0 | 6 | 5.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209318 | 15007 | 0 | None | -16 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 624 | 8 | 0 | 6 | 5.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 | 10.1016/j.bmcl.2010.06.038 | ||
164624386 | 186174 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 593 | 10 | 4 | 4 | 5.0 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4872932 | 186174 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 593 | 10 | 4 | 4 | 5.0 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL414778 | 213133 | 0 | None | -83 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
1334 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16133814 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL437050 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
71457994 | 78550 | 0 | None | -12 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 441 | 8 | 5 | 3 | 3.7 | NCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)cc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL2112213 | 78550 | 0 | None | -12 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 441 | 8 | 5 | 3 | 3.7 | NCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)cc1 | 10.1016/s0960-894x(03)00318-4 | ||
44305770 | 202771 | 0 | None | -2 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 448 | 9 | 5 | 4 | 2.2 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCc2ccccc2C1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL62228 | 202771 | 0 | None | -2 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 448 | 9 | 5 | 4 | 2.2 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCc2ccccc2C1 | 10.1016/s0960-894x(03)00318-4 | ||
155542149 | 173068 | 0 | None | -2 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 740 | 17 | 8 | 6 | 1.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4520119 | 173068 | 0 | None | -2 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 740 | 17 | 8 | 6 | 1.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
155555182 | 174297 | 0 | None | -2 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 778 | 18 | 9 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4550582 | 174297 | 0 | None | -2 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 778 | 18 | 9 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155563222 | 175267 | 0 | None | -16 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 711 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4572994 | 175267 | 0 | None | -16 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 711 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
118722929 | 116206 | 0 | None | -6 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358538 | 116206 | 0 | None | -6 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3287329 | 211288 | 0 | None | -1 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||||
CHEMBL503449 | 214143 | 0 | None | 1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
118722925 | 116203 | 0 | None | -7 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358534 | 116203 | 0 | None | -7 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
122179552 | 121461 | 0 | None | 2 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/acsmedchemlett.5b00053 | ||
CHEMBL3582446 | 121461 | 0 | None | 2 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/acsmedchemlett.5b00053 | ||
162661397 | 181502 | 0 | None | 1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 725 | 17 | 8 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4765156 | 181502 | 0 | None | 1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 725 | 17 | 8 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
162649653 | 180076 | 0 | None | -9 | 3 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 753 | 18 | 10 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4748317 | 180076 | 0 | None | -9 | 3 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 753 | 18 | 10 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL438294 | 213743 | 0 | None | 5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
155547310 | 173587 | 0 | None | 6 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 750 | 17 | 7 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4533593 | 173587 | 0 | None | 6 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 750 | 17 | 7 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155556954 | 174524 | 0 | None | -165 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 692 | 15 | 8 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4556149 | 174524 | 0 | None | -165 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 692 | 15 | 8 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155560756 | 175061 | 0 | None | 5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 756 | 14 | 6 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4568647 | 175061 | 0 | None | 5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 756 | 14 | 6 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
132180599 | 156869 | 0 | None | -3 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4072129 | 156869 | 0 | None | -3 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
164618352 | 184623 | 0 | None | 1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 608 | 11 | 3 | 3 | 6.8 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4849626 | 184623 | 0 | None | 1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 608 | 11 | 3 | 3 | 6.8 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
137657385 | 159742 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 867 | 21 | 11 | 7 | 0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4105142 | 159742 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 867 | 21 | 11 | 7 | 0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL2112008 | 209203 | 0 | None | -14 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL455826 | 213986 | 0 | None | 1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
CHEMBL321870 | 211209 | 0 | None | 5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
164627732 | 186470 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 598 | 10 | 3 | 3 | 7.0 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4877232 | 186470 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 598 | 10 | 3 | 3 | 7.0 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
10210972 | 12243 | 0 | None | -19 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 9 | 3 | 5 | 3.5 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN(CC(F)F)CCN2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1184771 | 12243 | 0 | None | -19 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 9 | 3 | 5 | 3.5 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN(CC(F)F)CCN2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2145454 | 12243 | 0 | None | -19 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 9 | 3 | 5 | 3.5 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN(CC(F)F)CCN2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
46885711 | 8038 | 0 | None | -169 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 504 | 3 | 1 | 3 | 5.4 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1 | 10.1021/jm9017866 | ||
CHEMBL1091150 | 8038 | 0 | None | -169 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 504 | 3 | 1 | 3 | 5.4 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1 | 10.1021/jm9017866 | ||
CHEMBL2323785 | 209488 | 0 | None | -8 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
155568641 | 176073 | 0 | None | -87 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 654 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4591394 | 176073 | 0 | None | -87 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 654 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4299612 | 213571 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
137634090 | 156275 | 0 | None | -3 | 6 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 3980 | 69 | 56 | 64 | -22.2 | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N3)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2 | 10.1021/acs.jmedchem.8b00251 | ||
CHEMBL4065418 | 156275 | 0 | None | -3 | 6 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 3980 | 69 | 56 | 64 | -22.2 | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N3)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2 | 10.1021/acs.jmedchem.8b00251 | ||
44441647 | 154666 | 0 | None | -22 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 631 | 8 | 2 | 7 | 4.1 | Cn1nnnc1CC1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL399714 | 154666 | 0 | None | -22 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 631 | 8 | 2 | 7 | 4.1 | Cn1nnnc1CC1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
164609537 | 184373 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 612 | 12 | 3 | 3 | 7.6 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4845842 | 184373 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 612 | 12 | 3 | 3 | 7.6 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
164623182 | 185595 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 11 | 4 | 4 | 5.4 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4864094 | 185595 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 11 | 4 | 4 | 5.4 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44359591 | 32045 | 0 | None | 1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 699 | 19 | 8 | 7 | -0.2 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL140847 | 32045 | 0 | None | 1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 699 | 19 | 8 | 7 | -0.2 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2003.08.078 | ||
44347219 | 16548 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||
CHEMBL123938 | 16548 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||
44359580 | 32847 | 0 | None | 1 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 713 | 20 | 5 | 7 | 0.4 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL141497 | 32847 | 0 | None | 1 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 713 | 20 | 5 | 7 | 0.4 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
164621263 | 185458 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 598 | 11 | 3 | 3 | 7.2 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4862172 | 185458 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 598 | 11 | 3 | 3 | 7.2 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
137657151 | 159532 | 0 | None | -11 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 888 | 18 | 8 | 7 | 3.4 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4102613 | 159532 | 0 | None | -11 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 888 | 18 | 8 | 7 | 3.4 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155549385 | 173781 | 0 | None | 4 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 756 | 14 | 6 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4538225 | 173781 | 0 | None | 4 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 756 | 14 | 6 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
162662360 | 181447 | 0 | None | -5 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4764556 | 181447 | 0 | None | -5 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
1334 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL410795 | 212819 | 0 | None | -1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
1334 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
16133814 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
CHEMBL437050 | 1489 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
137657206 | 159647 | 0 | None | -2 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 914 | 19 | 8 | 7 | 3.9 | CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4103985 | 159647 | 0 | None | -2 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 914 | 19 | 8 | 7 | 3.9 | CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL421028 | 213239 | 0 | None | 1 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL138212 | 208729 | 0 | None | 8 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O | 10.1016/j.bmcl.2003.08.078 | ||||
145966716 | 164281 | 0 | None | -138 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 887 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4212209 | 164281 | 0 | None | -138 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 887 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
164613550 | 185105 | 0 | None | 12 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 606 | 11 | 3 | 3 | 6.7 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4856539 | 185105 | 0 | None | 12 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 606 | 11 | 3 | 3 | 6.7 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
164625589 | 185717 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 612 | 11 | 3 | 3 | 7.4 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4866151 | 185717 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 612 | 11 | 3 | 3 | 7.4 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44445082 | 154278 | 0 | None | -6 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL398664 | 154278 | 0 | None | -6 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
137659091 | 159316 | 0 | None | -6 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 806 | 12 | 6 | 6 | 1.5 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4100160 | 159316 | 0 | None | -6 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 806 | 12 | 6 | 6 | 1.5 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
164615813 | 185120 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 594 | 10 | 3 | 3 | 6.4 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4856877 | 185120 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 594 | 10 | 3 | 3 | 6.4 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
164626394 | 186567 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 594 | 11 | 3 | 3 | 6.5 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4878558 | 186567 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 594 | 11 | 3 | 3 | 6.5 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL2115441 | 209245 | 0 | None | -64 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm960845e | ||||
CHEMBL195468 | 209079 | 0 | None | -2 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||||
16132144 | 209256 | 36 | None | -1 | 8 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2009.07.025 | ||||
16133793 | 209256 | 36 | None | -1 | 8 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2009.07.025 | ||||
44273719 | 209256 | 36 | None | -1 | 8 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2009.07.025 | ||||
CHEMBL214332 | 209256 | 36 | None | -1 | 8 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2009.07.025 | ||||
122184499 | 122367 | 0 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1088 | 17 | 13 | 11 | 0.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600737 | 122367 | 0 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1088 | 17 | 13 | 11 | 0.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
164609130 | 184403 | 0 | None | -3 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 595 | 10 | 4 | 4 | 5.1 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4846261 | 184403 | 0 | None | -3 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 595 | 10 | 4 | 4 | 5.1 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
164612768 | 184695 | 0 | None | 47 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 591 | 10 | 3 | 3 | 6.3 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4850501 | 184695 | 0 | None | 47 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 591 | 10 | 3 | 3 | 6.3 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
155561730 | 175629 | 0 | None | -19 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 684 | 14 | 7 | 6 | -0.3 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4581269 | 175629 | 0 | None | -19 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 684 | 14 | 7 | 6 | -0.3 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
137637251 | 155882 | 0 | None | -6 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 820 | 10 | 9 | 8 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4060767 | 155882 | 0 | None | -6 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 820 | 10 | 9 | 8 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL433296 | 213613 | 0 | None | 1 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
164622453 | 186066 | 0 | None | 2 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 601 | 12 | 3 | 3 | 6.2 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4871577 | 186066 | 0 | None | 2 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 601 | 12 | 3 | 3 | 6.2 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
45487286 | 197318 | 0 | None | -10 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 631 | 16 | 8 | 8 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568940 | 197318 | 0 | None | -10 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 631 | 16 | 8 | 8 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL3600922 | 211802 | 0 | None | 2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
44408276 | 75478 | 0 | None | -61 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 632 | 8 | 2 | 5 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL204308 | 75478 | 0 | None | -61 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 632 | 8 | 2 | 5 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
45487298 | 197319 | 0 | None | -7 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 657 | 17 | 8 | 8 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568965 | 197319 | 0 | None | -7 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 657 | 17 | 8 | 8 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL2323800 | 209503 | 0 | None | -39 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)[C@]23CCCN2C(=O)[C@@H](CSCC3=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
164617159 | 185411 | 0 | None | 11 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 545 | 13 | 4 | 4 | 4.7 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1[C@@H](C)O | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4861482 | 185411 | 0 | None | 11 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 545 | 13 | 4 | 4 | 4.7 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1[C@@H](C)O | 10.1021/acs.jmedchem.0c02041 | ||
44441639 | 94021 | 0 | None | -11 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 532 | 7 | 2 | 4 | 4.8 | N#CCC1(C2CCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL248893 | 94021 | 0 | None | -11 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 532 | 7 | 2 | 4 | 4.8 | N#CCC1(C2CCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL105113 | 208443 | 0 | None | 1 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
137662147 | 159355 | 0 | None | -99 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1051 | 19 | 15 | 15 | -3.0 | C[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4100598 | 159355 | 0 | None | -99 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1051 | 19 | 15 | 15 | -3.0 | C[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
45487409 | 196874 | 0 | None | -9 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 621 | 16 | 8 | 6 | 0.8 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(Cl)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL566162 | 196874 | 0 | None | -9 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 621 | 16 | 8 | 6 | 0.8 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(Cl)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44441633 | 94501 | 0 | None | -18 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 546 | 7 | 2 | 4 | 5.2 | N#CCC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL251735 | 94501 | 0 | None | -18 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 546 | 7 | 2 | 4 | 5.2 | N#CCC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
46885907 | 8008 | 0 | None | -104 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 460 | 4 | 1 | 3 | 4.1 | CCN1C[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3cccc(F)c3)[C@H](C)C2)[C@H](c2ccc(F)cc2F)C1 | 10.1021/jm9017866 | ||
CHEMBL1090885 | 8008 | 0 | None | -104 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 460 | 4 | 1 | 3 | 4.1 | CCN1C[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3cccc(F)c3)[C@H](C)C2)[C@H](c2ccc(F)cc2F)C1 | 10.1021/jm9017866 | ||
44408173 | 75372 | 0 | None | -154 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 640 | 8 | 2 | 5 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL203975 | 75372 | 0 | None | -154 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 640 | 8 | 2 | 5 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
164621924 | 185927 | 0 | None | 6 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 587 | 10 | 3 | 3 | 5.7 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4869531 | 185927 | 0 | None | 6 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 587 | 10 | 3 | 3 | 5.7 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
164627491 | 186479 | 0 | None | -3 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 587 | 11 | 3 | 3 | 5.8 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4877442 | 186479 | 0 | None | -3 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 587 | 11 | 3 | 3 | 5.8 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
44441642 | 154381 | 0 | None | -75 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CC(C)CC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL398816 | 154381 | 0 | None | -75 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CC(C)CC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
45487418 | 197218 | 0 | None | -8 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 632 | 17 | 8 | 8 | 0.0 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568341 | 197218 | 0 | None | -8 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 632 | 17 | 8 | 8 | 0.0 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL227239 | 209428 | 0 | None | 1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3s2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
137646086 | 157870 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4084136 | 157870 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
45487410 | 197415 | 0 | None | -21 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 655 | 16 | 8 | 6 | 1.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569696 | 197415 | 0 | None | -21 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 655 | 16 | 8 | 6 | 1.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
137642664 | 158056 | 0 | None | -7 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 772 | 18 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4086346 | 158056 | 0 | None | -7 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 772 | 18 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL320157 | 211203 | 0 | None | 1 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
137641005 | 157015 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 858 | 19 | 8 | 6 | 2.7 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4073782 | 157015 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 858 | 19 | 8 | 6 | 2.7 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
45487297 | 197078 | 0 | None | -13 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 613 | 17 | 8 | 6 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL567634 | 197078 | 0 | None | -13 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 613 | 17 | 8 | 6 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44441645 | 94098 | 0 | None | -63 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 605 | 12 | 2 | 7 | 4.4 | CCCCCCC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL249277 | 94098 | 0 | None | -63 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 605 | 12 | 2 | 7 | 4.4 | CCCCCCC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
45487406 | 196871 | 0 | None | -6 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 605 | 16 | 8 | 6 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccccc1F)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL566150 | 196871 | 0 | None | -6 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 605 | 16 | 8 | 6 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccccc1F)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL65339 | 215837 | 0 | None | 1 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL2372570 | 210248 | 0 | None | -691 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2=NC=NC2)NC1=O | 10.1021/jm9017866 | ||||
CHEMBL2323788 | 209491 | 0 | None | -13 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
45487414 | 197258 | 0 | None | -6 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 621 | 16 | 8 | 6 | 0.8 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(Cl)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568577 | 197258 | 0 | None | -6 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 621 | 16 | 8 | 6 | 0.8 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(Cl)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
137644603 | 158126 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 848 | 19 | 9 | 7 | 1.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4087277 | 158126 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 848 | 19 | 9 | 7 | 1.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL322889 | 211212 | 0 | None | 3 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL3600736 | 211789 | 0 | None | -2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
15602927 | 157858 | 0 | None | -1 | 5 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 835 | 12 | 10 | 8 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL408398 | 157858 | 0 | None | -1 | 5 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 835 | 12 | 10 | 8 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL322610 | 211211 | 0 | None | 2 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
CHEMBL501394 | 214114 | 0 | None | -2 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
162672755 | 183066 | 0 | None | -16 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4794484 | 183066 | 0 | None | -16 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL50056 | 214096 | 2 | None | -8 | 7 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||||
137658252 | 159605 | 0 | None | 6 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 868 | 10 | 10 | 9 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4103508 | 159605 | 0 | None | 6 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 868 | 10 | 10 | 9 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
45487290 | 196757 | 0 | None | -22 | 3 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 579 | 17 | 9 | 7 | -1.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1c[nH]cn1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565474 | 196757 | 0 | None | -22 | 3 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 579 | 17 | 9 | 7 | -1.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1c[nH]cn1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44401520 | 13898 | 0 | None | -181 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1196472 | 13898 | 0 | None | -181 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL557154 | 13898 | 0 | None | -181 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
137661461 | 159352 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 870 | 16 | 7 | 6 | 2.9 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4100584 | 159352 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 870 | 16 | 7 | 6 | 2.9 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
51351151 | 58775 | 0 | None | -2 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53318437 | 58775 | 0 | None | -2 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932359 | 58775 | 0 | None | -2 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688110 | 58775 | 0 | None | -2 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
137632394 | 156255 | 0 | None | - | 1 | Mouse | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 914 | 19 | 8 | 7 | 3.9 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4065189 | 156255 | 0 | None | - | 1 | Mouse | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 914 | 19 | 8 | 7 | 3.9 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
145948912 | 167461 | 0 | None | -2 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1170 | 17 | 14 | 11 | 0.7 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
CHEMBL4299454 | 167461 | 0 | None | -2 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1170 | 17 | 14 | 11 | 0.7 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
122179551 | 121460 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||
CHEMBL3582445 | 121460 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||
CHEMBL2370533 | 209845 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
CHEMBL105113 | 208443 | 0 | None | 1 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
1338 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
9938402 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
CHEMBL339053 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
1338 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
9938402 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL339053 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
1338 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
9938402 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
CHEMBL339053 | 3778 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
44359589 | 31449 | 0 | None | 3 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 685 | 20 | 4 | 7 | 1.4 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL140324 | 31449 | 0 | None | 3 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 685 | 20 | 4 | 7 | 1.4 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL438235 | 213736 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | ||||
164621414 | 185750 | 0 | None | -1 | 3 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 12 | 4 | 4 | 4.4 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1[C@@H](C)O | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4866532 | 185750 | 0 | None | -1 | 3 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 12 | 4 | 4 | 4.4 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1[C@@H](C)O | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL104397 | 208440 | 0 | None | 2 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
155562846 | 175146 | 0 | None | -6 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 564 | 13 | 5 | 6 | -0.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4570356 | 175146 | 0 | None | -6 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 564 | 13 | 5 | 6 | -0.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
137656521 | 159720 | 0 | None | -33 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1139 | 22 | 17 | 16 | -3.1 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4104927 | 159720 | 0 | None | -33 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1139 | 22 | 17 | 16 | -3.1 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
44401524 | 13974 | 0 | None | -120 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 583 | 8 | 4 | 5 | 3.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1197052 | 13974 | 0 | None | -120 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 583 | 8 | 4 | 5 | 3.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL559181 | 13974 | 0 | None | -120 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 583 | 8 | 4 | 5 | 3.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL227833 | 209429 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL3349030 | 211382 | 0 | None | -8 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL2323792 | 209495 | 0 | None | -1 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
127047336 | 139773 | 0 | None | -74 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1730 | 54 | 21 | 19 | 1.1 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3798768 | 139773 | 0 | None | -74 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1730 | 54 | 21 | 19 | 1.1 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
10122170 | 130293 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 638 | 10 | 3 | 7 | 2.2 | CS(=O)(=O)N(CCN)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
CHEMBL368008 | 130293 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 638 | 10 | 3 | 7 | 2.2 | CS(=O)(=O)N(CCN)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
1323 | 2669 | 55 | None | -181 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
155556466 | 174392 | 0 | None | -11 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 648 | 17 | 8 | 6 | 1.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4552764 | 174392 | 0 | None | -11 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 648 | 17 | 8 | 6 | 1.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL501679 | 214120 | 0 | None | 1 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
46232226 | 201060 | 0 | None | 6 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 863 | 12 | 9 | 8 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602853 | 201060 | 0 | None | 6 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 863 | 12 | 9 | 8 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL589308 | 215776 | 0 | None | 1 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)NCC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)Cc1ccccc1 | 10.1016/j.bmc.2009.12.010 | ||||
16132144 | 209256 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
16133793 | 209256 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
44273719 | 209256 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
CHEMBL214332 | 209256 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
16132144 | 209256 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
16133793 | 209256 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
44273719 | 209256 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
CHEMBL214332 | 209256 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
CHEMBL415200 | 213156 | 0 | None | 5 | 5 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCN)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
132180598 | 157825 | 0 | None | -16 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 803 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4083717 | 157825 | 0 | None | -16 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 803 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155562237 | 175685 | 0 | None | -39 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 692 | 15 | 8 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4582276 | 175685 | 0 | None | -39 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 692 | 15 | 8 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
44408155 | 140528 | 0 | None | -114 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 656 | 10 | 2 | 5 | 4.9 | CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381125 | 140528 | 0 | None | -114 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 656 | 10 | 2 | 5 | 4.9 | CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
164622957 | 186090 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4871777 | 186090 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164627764 | 186540 | 0 | None | -2 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 603 | 11 | 4 | 4 | 4.8 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4878201 | 186540 | 0 | None | -2 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 603 | 11 | 4 | 4 | 4.8 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL3349030 | 211382 | 0 | None | -8 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
122184912 | 122532 | 0 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601430 | 122532 | 0 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL376339 | 212221 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
16157270 | 212530 | 14 | None | -109 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL405282 | 212530 | 14 | None | -109 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL411359 | 212856 | 0 | None | -4 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
16157270 | 212530 | 14 | None | -109 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL405282 | 212530 | 14 | None | -109 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
155551195 | 173918 | 0 | None | -38 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 626 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4541098 | 173918 | 0 | None | -38 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 626 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
44305956 | 102734 | 0 | None | -2 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 490 | 11 | 5 | 4 | 2.9 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL305132 | 102734 | 0 | None | -2 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 490 | 11 | 5 | 4 | 2.9 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
44305784 | 203316 | 0 | None | -1 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 447 | 8 | 4 | 3 | 3.4 | CC1CCN(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL64967 | 203316 | 0 | None | -1 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 447 | 8 | 4 | 3 | 3.4 | CC1CCN(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL2323787 | 209490 | 0 | None | -41 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
137635701 | 156013 | 0 | None | -1 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4062425 | 156013 | 0 | None | -1 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL3600921 | 211801 | 0 | None | -6 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
44391929 | 12380 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 8 | 3 | 5 | 3.3 | CCN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1185810 | 12380 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 8 | 3 | 5 | 3.3 | CCN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2145453 | 12380 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 8 | 3 | 5 | 3.3 | CCN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL502300 | 214129 | 0 | None | -6 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
CHEMBL381739 | 212269 | 0 | None | 4 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0510326 | ||||
44408154 | 141337 | 0 | None | -218 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 668 | 8 | 2 | 5 | 5.1 | CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)S1(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL383719 | 141337 | 0 | None | -218 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 668 | 8 | 2 | 5 | 5.1 | CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)S1(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL2323797 | 209500 | 0 | None | -44 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | C[C@H]1CN2C(=O)CSC[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm301253y | ||||
1337 | 3398 | 6 | None | -3 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
6918851 | 3398 | 6 | None | -3 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL364346 | 3398 | 6 | None | -3 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
10188529 | 126755 | 0 | None | -34 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL365401 | 126755 | 0 | None | -34 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | ||
45487292 | 196829 | 0 | None | -4 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 628 | 16 | 9 | 8 | -0.3 | N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565900 | 196829 | 0 | None | -4 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 628 | 16 | 9 | 8 | -0.3 | N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL2323796 | 209499 | 0 | None | -79 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
24882615 | 97464 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 371 | 6 | 2 | 3 | 3.1 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL270270 | 97464 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 371 | 6 | 2 | 3 | 3.1 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL331259 | 211338 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | ||||
CHEMBL408509 | 212697 | 0 | None | 2 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
44401310 | 12753 | 0 | None | -125 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 557 | 7 | 4 | 5 | 2.9 | C[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1188043 | 12753 | 0 | None | -125 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 557 | 7 | 4 | 5 | 2.9 | C[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL534930 | 12753 | 0 | None | -125 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 557 | 7 | 4 | 5 | 2.9 | C[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
71456219 | 78718 | 0 | None | -23 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL2112603 | 78718 | 0 | None | -23 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
44441684 | 94102 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 7 | 3 | 5 | 3.1 | CC1CCC(C2(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CN(C)CCN3)CC2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL249321 | 94102 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 7 | 3 | 5 | 3.1 | CC1CCC(C2(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CN(C)CCN3)CC2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
162672755 | 183066 | 0 | None | -16 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4794484 | 183066 | 0 | None | -16 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL2323795 | 209498 | 0 | None | -19 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
CHEMBL264190 | 210585 | 1 | None | 2 | 8 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL2369485 | 209605 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NN[C@H]2Cc3ccc(O)cc3NC2=O)CC(=O)N[C@H](C(=O)NN[C@@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||||
155549302 | 173779 | 0 | None | 1 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 626 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4538209 | 173779 | 0 | None | 1 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 626 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
155554827 | 174595 | 0 | None | -2 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 621 | 16 | 8 | 7 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4557656 | 174595 | 0 | None | -2 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 621 | 16 | 8 | 7 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155562993 | 175207 | 0 | None | 1 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 694 | 14 | 6 | 7 | -1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4571760 | 175207 | 0 | None | 1 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 694 | 14 | 6 | 7 | -1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
137637026 | 155901 | 0 | None | -162 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1052 | 20 | 15 | 14 | -1.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4060937 | 155901 | 0 | None | -162 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1052 | 20 | 15 | 14 | -1.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
44401321 | 11764 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1181867 | 11764 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028960 | 11764 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
102096778 | 58776 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
51351277 | 58776 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53322400 | 58776 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932360 | 58776 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688111 | 58776 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
45487415 | 197416 | 0 | None | -11 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 603 | 16 | 9 | 7 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569697 | 197416 | 0 | None | -11 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 603 | 16 | 9 | 7 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
164625186 | 185943 | 0 | None | 2 | 3 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 591 | 11 | 3 | 3 | 6.5 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4869669 | 185943 | 0 | None | 2 | 3 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 591 | 11 | 3 | 3 | 6.5 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
145973975 | 164633 | 0 | None | -22 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4216654 | 164633 | 0 | None | -22 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
46885480 | 7722 | 0 | None | -63 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1089103 | 7722 | 0 | None | -63 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
45487412 | 196800 | 0 | None | -8 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 605 | 17 | 9 | 7 | -0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565740 | 196800 | 0 | None | -8 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 605 | 17 | 9 | 7 | -0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL430489 | 213597 | 0 | None | 2 | 3 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
44441681 | 94100 | 0 | None | -104 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL249319 | 94100 | 0 | None | -104 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL439691 | 213825 | 0 | None | -16 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL438030 | 213721 | 0 | None | -63 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
51351024 | 58772 | 0 | None | -4 | 4 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53318435 | 58772 | 0 | None | -4 | 4 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932358 | 58772 | 0 | None | -4 | 4 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688106 | 58772 | 0 | None | -4 | 4 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
168277916 | 190653 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 4986 | 94 | 68 | 63 | -6.6 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5181812 | 190653 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 4986 | 94 | 68 | 63 | -6.6 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168290510 | 191873 | 0 | None | -1288 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1215 | 15 | 14 | 15 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5199932 | 191873 | 0 | None | -1288 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1215 | 15 | 14 | 15 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168293710 | 192142 | 0 | None | -1288 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccc(cc3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5203986 | 192142 | 0 | None | -1288 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccc(cc3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168278271 | 191091 | 0 | None | -2818 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 2167 | 35 | 34 | 26 | -5.3 | CCCC[C@@H]1NC(=O)[C@@H]2CS/C(C(=O)O)=C(/C(N)=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5187932 | 191091 | 0 | None | -2818 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 2167 | 35 | 34 | 26 | -5.3 | CCCC[C@@H]1NC(=O)[C@@H]2CS/C(C(=O)O)=C(/C(N)=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168276507 | 190241 | 0 | None | -1584 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3cccc(c3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5175487 | 190241 | 0 | None | -1584 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3cccc(c3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168285101 | 191620 | 0 | None | -7079 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccccc2CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5195937 | 191620 | 0 | None | -7079 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccccc2CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168273645 | 190301 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 5162 | 106 | 68 | 67 | -6.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5176443 | 190301 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 5162 | 106 | 68 | 67 | -6.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168271237 | 190464 | 0 | None | -6760 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 2788 | 45 | 36 | 36 | 0.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)c3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5179081 | 190464 | 0 | None | -6760 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 2788 | 45 | 36 | 36 | 0.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)c3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168285904 | 191646 | 0 | None | -10232 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2cccc(c2)CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5196407 | 191646 | 0 | None | -10232 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2cccc(c2)CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168294114 | 192166 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 4756 | 82 | 66 | 59 | -5.7 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5204285 | 192166 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 4756 | 82 | 66 | 59 | -5.7 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168274920 | 190239 | 0 | None | -6025 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5175444 | 190239 | 0 | None | -6025 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168283616 | 191215 | 0 | None | -331 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2110 | 33 | 32 | 25 | -4.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5190042 | 191215 | 0 | None | -331 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2110 | 33 | 32 | 25 | -4.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
11993702 | 3566 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
5416 | 3566 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
9272 | 3566 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL3301624 | 3566 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
DB11700 | 3566 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
168272660 | 190409 | 0 | None | -1548 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2202 | 33 | 32 | 24 | -2.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3c(F)c(F)c(c(F)c3F)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5178164 | 190409 | 0 | None | -1548 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2202 | 33 | 32 | 24 | -2.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3c(F)c(F)c(c(F)c3F)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168277543 | 190651 | 0 | None | -4897 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccc(cc2)CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5181752 | 190651 | 0 | None | -4897 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccc(cc2)CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
10408 | 717 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
5329 | 717 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
9941379 | 717 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL2070241 | 717 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
DB11653 | 717 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
168289457 | 191356 | 0 | None | -1047 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccccc3CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5192329 | 191356 | 0 | None | -1047 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccccc3CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168272615 | 190363 | 0 | None | -4073 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5177494 | 190363 | 0 | None | -4073 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168284256 | 190922 | 0 | None | -4570 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2383 | 48 | 33 | 31 | -4.2 | CCCC[C@@H]1NC(=O)[C@@H]2CSC/C(=N/OCC(=O)NCCOCCOCCOCCN=[N+]=[N-])CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5185775 | 190922 | 0 | None | -4570 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2383 | 48 | 33 | 31 | -4.2 | CCCC[C@@H]1NC(=O)[C@@H]2CSC/C(=N/OCC(=O)NCCOCCOCCOCCN=[N+]=[N-])CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168271934 | 190061 | 0 | None | -288 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 2229 | 37 | 32 | 26 | -3.7 | C#CCCCCN1C(=O)C2=C(SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC3=O)C1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5172738 | 190061 | 0 | None | -288 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 2229 | 37 | 32 | 26 | -3.7 | C#CCCCCN1C(=O)C2=C(SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC3=O)C1=O | 10.1021/acs.jmedchem.2c00793 | ||
168296647 | 192451 | 0 | None | -13489 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccccc2CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5208830 | 192451 | 0 | None | -13489 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccccc2CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168270124 | 189931 | 0 | None | -1819 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 2096 | 33 | 32 | 24 | -3.6 | CCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5170533 | 189931 | 0 | None | -1819 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 2096 | 33 | 32 | 24 | -3.6 | CCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
1323 | 2669 | 55 | None | -181 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
168276294 | 190484 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 3264 | 55 | 36 | 40 | 1.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5nnn(CC(=O)N6CCCC[C@H]6C6(O)CN(C(=O)c7ccc(F)c(F)c7Nc7ccc(I)cc7F)C6)c5CCC43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5179373 | 190484 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 3264 | 55 | 36 | 40 | 1.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5nnn(CC(=O)N6CCCC[C@H]6C6(O)CN(C(=O)c7ccc(F)c(F)c7Nc7ccc(I)cc7F)C6)c5CCC43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168284733 | 191600 | 0 | None | -162 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2054 | 33 | 32 | 24 | -4.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5195641 | 191600 | 0 | None | -162 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2054 | 33 | 32 | 24 | -4.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168289404 | 191288 | 0 | None | -933 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2134 | 33 | 32 | 28 | -5.0 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(nn3)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5191309 | 191288 | 0 | None | -933 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2134 | 33 | 32 | 28 | -5.0 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(nn3)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168277258 | 190686 | 0 | None | -870 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1243 | 15 | 14 | 15 | -0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5182345 | 190686 | 0 | None | -870 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1243 | 15 | 14 | 15 | -0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168281389 | 190898 | 0 | None | -218 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 2149 | 33 | 33 | 26 | -5.2 | CCCC[C@@H]1NC(=O)[C@@H]2CSC3=C(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)C(=O)NC3=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5185405 | 190898 | 0 | None | -218 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 2149 | 33 | 33 | 26 | -5.2 | CCCC[C@@H]1NC(=O)[C@@H]2CSC3=C(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)C(=O)NC3=O | 10.1021/acs.jmedchem.2c00793 | ||
168277761 | 190276 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2342 | 37 | 34 | 29 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5175981 | 190276 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2342 | 37 | 34 | 29 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168295726 | 192381 | 0 | None | -9120 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 2547 | 50 | 34 | 33 | -2.8 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCOCCC(=O)O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5207936 | 192381 | 0 | None | -9120 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 2547 | 50 | 34 | 33 | -2.8 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCOCCC(=O)O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168281421 | 190933 | 0 | None | -794 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2430 | 43 | 34 | 31 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5185945 | 190933 | 0 | None | -794 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2430 | 43 | 34 | 31 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL413573 | 213052 | 0 | None | -1 | 4 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | ||||
44445085 | 97045 | 0 | None | -1 | 4 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 879 | 9 | 11 | 9 | 1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL267265 | 97045 | 0 | None | -1 | 4 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 879 | 9 | 11 | 9 | 1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
132938008 | 159489 | 0 | None | -891 | 5 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4102048 | 159489 | 0 | None | -891 | 5 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
155561116 | 174949 | 0 | None | -269 | 5 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 964 | 11 | 11 | 11 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4566163 | 174949 | 0 | None | -269 | 5 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 964 | 11 | 11 | 11 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
122184635 | 122408 | 0 | None | 2 | 4 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600916 | 122408 | 0 | None | 2 | 4 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
162650385 | 180047 | 0 | None | - | 1 | Mouse | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4747952 | 180047 | 0 | None | - | 1 | Mouse | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL3577981 | 211726 | 1 | None | -177 | 5 | Mouse | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||||
CHEMBL3577981 | 211726 | 1 | None | -177 | 5 | Mouse | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||||
44577515 | 188983 | 0 | None | -2 | 2 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL508816 | 188983 | 0 | None | -2 | 2 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
132938008 | 159489 | 0 | None | -891 | 5 | Mouse | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4102048 | 159489 | 0 | None | -891 | 5 | Mouse | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
155544852 | 174915 | 0 | None | -331 | 5 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 977 | 12 | 10 | 10 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4565367 | 174915 | 0 | None | -331 | 5 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 977 | 12 | 10 | 10 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
162645080 | 179426 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -0.9 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4740561 | 179426 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -0.9 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
155548853 | 173785 | 0 | None | -758 | 5 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1005 | 13 | 10 | 10 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4538274 | 173785 | 0 | None | -758 | 5 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1005 | 13 | 10 | 10 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
131839615 | 212613 | 26 | None | -1 | 7 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
16133835 | 212613 | 26 | None | -1 | 7 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
CHEMBL407070 | 212613 | 26 | None | -1 | 7 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
131839615 | 212613 | 26 | None | 1 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
16133835 | 212613 | 26 | None | 1 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
CHEMBL407070 | 212613 | 26 | None | 1 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
1341 | 3054 | 0 | None | 6 | 3 | Human | 10.5 | pIC50 | None | 10.5 | Functional | Guide to Pharmacology | None | None | None | None | 12431055 | ||||
1335 | 314 | 0 | None | -630 | 3 | Human | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 9892020 | ||||
1342 | 247 | 0 | None | - | 1 | Human | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | None | None | None | None | 12904077 | ||||
1324 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
16154396 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
16197727 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
44285019 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
57514683 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
91898441 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
CHEMBL441738 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
DB04931 | 301 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
1323 | 2669 | 55 | None | -181 | 8 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
92432 | 2669 | 55 | None | -181 | 8 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
CHEMBL430239 | 2669 | 55 | None | -181 | 8 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
44366081 | 10230 | 0 | None | - | 2 | Human | 10.5 | pEC50 | = | 10.5 | Binding | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | ||
CHEMBL1161313 | 10230 | 0 | None | - | 2 | Human | 10.5 | pEC50 | = | 10.5 | Binding | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | ||
1323 | 2669 | 55 | None | - | 3 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
92432 | 2669 | 55 | None | - | 3 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
1324 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
16154396 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
16197727 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
44285019 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
57514683 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
91898441 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
CHEMBL441738 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
DB04931 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
1324 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
16154396 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
16197727 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
44285019 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
57514683 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
91898441 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
CHEMBL441738 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
DB04931 | 301 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
101176453 | 182938 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 1034 | 15 | 12 | 10 | 0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01029 | ||
CHEMBL4792986 | 182938 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 1034 | 15 | 12 | 10 | 0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01029 | ||
CHEMBL1161322 | 208485 | 0 | None | - | 2 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | ||||
1324 | 301 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
16154396 | 301 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
16197727 | 301 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
44285019 | 301 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
57514683 | 301 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
91898441 | 301 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
CHEMBL441738 | 301 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
DB04931 | 301 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
CHEMBL2096742 | 209183 | 0 | None | - | 2 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0202526 | ||||
CHEMBL442504 | 213893 | 0 | None | -1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | ||||
1323 | 2669 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
92432 | 2669 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
44327392 | 141838 | 0 | None | - | 0 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 1025 | 21 | 12 | 12 | -0.6 | CCCC[C@H](NC(C)=O)C(=O)N1C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]1CC(=O)O | 10.1021/jm0104872 | ||
CHEMBL386583 | 141838 | 0 | None | - | 0 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 1025 | 21 | 12 | 12 | -0.6 | CCCC[C@H](NC(C)=O)C(=O)N1C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]1CC(=O)O | 10.1021/jm0104872 | ||
CHEMBL1161323 | 208486 | 0 | None | - | 2 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O | 10.1021/jm0202526 | ||||
16132144 | 209256 | 36 | None | - | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049010r | ||||
16133793 | 209256 | 36 | None | - | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049010r | ||||
44273719 | 209256 | 36 | None | - | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049010r | ||||
CHEMBL214332 | 209256 | 36 | None | - | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049010r | ||||
CHEMBL2369959 | 209717 | 0 | None | - | 0 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
16132144 | 209256 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm020296e | ||||
16133793 | 209256 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm020296e | ||||
44273719 | 209256 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm020296e | ||||
CHEMBL214332 | 209256 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm020296e | ||||
16132144 | 209256 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0104872 | ||||
16133793 | 209256 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0104872 | ||||
44273719 | 209256 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0104872 | ||||
CHEMBL214332 | 209256 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0104872 | ||||
CHEMBL2369967 | 209725 | 0 | None | - | 0 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
1323 | 2669 | 55 | None | - | 3 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
92432 | 2669 | 55 | None | - | 3 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
CHEMBL2369964 | 209722 | 0 | None | - | 0 | Mouse | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
44322868 | 105981 | 0 | None | -4 | 3 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 917 | 11 | 12 | 9 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL313279 | 105981 | 0 | None | -4 | 3 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 917 | 11 | 12 | 9 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL2369963 | 209721 | 0 | None | - | 0 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL1161318 | 208482 | 0 | None | - | 2 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O | 10.1021/jm0202526 | ||||
CHEMBL347364 | 211690 | 0 | None | - | 0 | Mouse | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL191063 | 209056 | 0 | None | - | 0 | Mouse | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | ||||
CHEMBL365794 | 212018 | 0 | None | - | 0 | Mouse | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
11038873 | 171856 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 545 | 12 | 3 | 6 | 2.9 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](N)Cc2c[nH]cn2)CC1 | 10.1021/jm025600i | ||
CHEMBL446941 | 171856 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 545 | 12 | 3 | 6 | 2.9 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](N)Cc2c[nH]cn2)CC1 | 10.1021/jm025600i | ||
10260053 | 168179 | 0 | None | -6 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | ||
CHEMBL433413 | 168179 | 0 | None | -6 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | ||
CHEMBL347216 | 211689 | 0 | None | - | 0 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL190080 | 209039 | 0 | None | - | 0 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL275303 | 210798 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | None | None | None | CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL432027 | 213608 | 0 | None | - | 0 | Mouse | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
46877881 | 201795 | 0 | None | -5 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL606990 | 201795 | 0 | None | -5 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL94391 | 215886 | 0 | None | - | 0 | Mouse | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL327479 | 211271 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL433522 | 213618 | 0 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccncc1)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL190551 | 209043 | 0 | None | - | 0 | Mouse | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL348901 | 211693 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/jm020296e | ||||
44323234 | 168032 | 0 | None | -11 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL432377 | 168032 | 0 | None | -11 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL1161321 | 208484 | 0 | None | - | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(Cc3ccccc3C2)NC1=O | 10.1021/jm0202526 | ||||
CHEMBL2371147 | 209994 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@]1(C(N)=O)CCc2ccccc2C1 | 10.1021/jm020296e | ||||
CHEMBL3422431 | 211647 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/ml500340z | ||||
118735610 | 118855 | 0 | None | - | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/ml500340z | ||
CHEMBL3422433 | 118855 | 0 | None | - | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/ml500340z | ||
CHEMBL190953 | 209054 | 0 | None | - | 0 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | ||||
CHEMBL372237 | 212149 | 0 | None | - | 0 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL2372589 | 210250 | 0 | None | - | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0202526 | ||||
CHEMBL5282523 | 194135 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 1096 | 15 | 12 | 10 | 1.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2Cc3ccccc3CN2C1=O | 10.1021/acs.jmedchem.6b01029 | ||
CHEMBL2369969 | 209727 | 0 | None | - | 0 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2096742 | 209183 | 0 | None | - | 2 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2369973 | 209731 | 0 | None | - | 0 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
1325 | 3573 | 14 | None | - | 7 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
6440621 | 3573 | 14 | None | - | 7 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
9898183 | 3573 | 14 | None | - | 7 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
CHEMBL3422426 | 3573 | 14 | None | - | 7 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
118735609 | 118854 | 0 | None | - | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/ml500340z | ||
CHEMBL3422432 | 118854 | 0 | None | - | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/ml500340z | ||
44269217 | 30229 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 649 | 14 | 3 | 6 | 4.4 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)c2ccccc2)CC1 | 10.1021/jm025600i | ||
CHEMBL13910 | 30229 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 649 | 14 | 3 | 6 | 4.4 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)c2ccccc2)CC1 | 10.1021/jm025600i | ||
CHEMBL2369974 | 209732 | 0 | None | - | 0 | Mouse | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL329490 | 211294 | 0 | None | - | 0 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
118735606 | 118853 | 0 | None | - | 1 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 877 | 18 | 9 | 7 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/ml500340z | ||
CHEMBL3422429 | 118853 | 0 | None | - | 1 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 877 | 18 | 9 | 7 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/ml500340z | ||
11828678 | 207850 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 721 | 16 | 8 | 6 | 1.0 | CC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm0104872 | ||
CHEMBL96531 | 207850 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 721 | 16 | 8 | 6 | 1.0 | CC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm0104872 | ||
CHEMBL2096745 | 209184 | 0 | None | - | 0 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/jm020296e | ||||
CHEMBL191120 | 209057 | 0 | None | - | 0 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | ||||
CHEMBL370321 | 212144 | 0 | None | - | 0 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
44269214 | 98466 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 546 | 12 | 3 | 6 | 3.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](O)Cc2c[nH]cn2)CC1 | 10.1021/jm025600i | ||
CHEMBL276012 | 98466 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 546 | 12 | 3 | 6 | 3.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](O)Cc2c[nH]cn2)CC1 | 10.1021/jm025600i | ||
118735604 | 118851 | 0 | None | - | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 860 | 18 | 10 | 6 | 2.0 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml500340z | ||
CHEMBL3422427 | 118851 | 0 | None | - | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 860 | 18 | 10 | 6 | 2.0 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml500340z | ||
CHEMBL329847 | 211298 | 0 | None | - | 0 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL2369982 | 209740 | 0 | None | - | 0 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2369960 | 209718 | 0 | None | - | 0 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2370154 | 209778 | 0 | None | -6 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm020021z | ||||
CHEMBL2369965 | 209723 | 0 | None | - | 0 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
44369234 | 45216 | 0 | None | - | 0 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 685 | 18 | 9 | 7 | -0.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm020296e | ||
CHEMBL152612 | 45216 | 0 | None | - | 0 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 685 | 18 | 9 | 7 | -0.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm020296e | ||
CHEMBL264190 | 210585 | 1 | None | - | 2 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL330233 | 211308 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL365913 | 212020 | 0 | None | - | 0 | Mouse | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL188738 | 209036 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL189991 | 209038 | 0 | None | - | 0 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | ||||
CHEMBL2369976 | 209734 | 0 | None | - | 0 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL154153 | 208777 | 0 | None | - | 0 | Mouse | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL264190 | 210585 | 1 | None | - | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL350012 | 211699 | 0 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]cn1)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL96871 | 215898 | 0 | None | - | 0 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL431092 | 213599 | 0 | None | - | 0 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL2371150 | 209995 | 0 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL1161320 | 208483 | 0 | None | - | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CC2)NC1=O | 10.1021/jm0202526 | ||||
44269189 | 98310 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 587 | 13 | 3 | 6 | 3.1 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(C)=O)CC1 | 10.1021/jm025600i | ||
CHEMBL275067 | 98310 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 587 | 13 | 3 | 6 | 3.1 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(C)=O)CC1 | 10.1021/jm025600i | ||
CHEMBL190203 | 209041 | 0 | None | - | 0 | Mouse | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL264190 | 210585 | 1 | None | - | 2 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml500340z | ||||
CHEMBL357558 | 211720 | 0 | None | - | 0 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL2369983 | 209741 | 0 | None | - | 0 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL330561 | 211310 | 0 | None | - | 0 | Mouse | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL317969 | 211185 | 0 | None | - | 0 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
44347840 | 161900 | 0 | None | -208 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | ||
91932630 | 161900 | 0 | None | -208 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | ||
CHEMBL415333 | 161900 | 0 | None | -208 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | ||
CHEMBL2369966 | 209724 | 0 | None | - | 0 | Mouse | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2369961 | 209719 | 0 | None | - | 0 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc3C2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
9915813 | 38459 | 15 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 559 | 12 | 2 | 7 | 3.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1 | 10.1021/jm025600i | ||
CHEMBL14642 | 38459 | 15 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 559 | 12 | 2 | 7 | 3.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1 | 10.1021/jm025600i | ||
CHEMBL1161316 | 208481 | 0 | None | - | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | 10.1021/jm0202526 | ||||
10101361 | 155679 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 717 | 16 | 8 | 6 | 2.4 | CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||
CHEMBL405174 | 155679 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 717 | 16 | 8 | 6 | 2.4 | CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||
CHEMBL151906 | 208771 | 0 | None | - | 0 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1csc2ccccc12)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL154251 | 208778 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL2369975 | 209733 | 0 | None | - | 0 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2369970 | 209728 | 0 | None | - | 0 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2371832 | 210112 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL432201 | 213610 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
44366171 | 121268 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | ||
CHEMBL358015 | 121268 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | ||
CHEMBL3422430 | 211646 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/ml500340z | ||||
44322795 | 206903 | 0 | None | -114 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL91041 | 206903 | 0 | None | -114 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL94369 | 215885 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL2371835 | 210114 | 0 | None | - | 0 | Mouse | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL186970 | 209031 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL2371829 | 210111 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL2371833 | 210113 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
44323020 | 168972 | 0 | None | -741 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL439188 | 168972 | 0 | None | -741 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL320157 | 211203 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
CHEMBL2369968 | 209726 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2369971 | 209729 | 0 | None | - | 0 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL2096693 | 209181 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/jm020296e | ||||
CHEMBL2369962 | 209720 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL152555 | 208772 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm020296e | ||||
CHEMBL358833 | 211780 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm020296e | ||||
CHEMBL346925 | 211688 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm020296e | ||||
118735605 | 118852 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 897 | 19 | 9 | 6 | 3.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/ml500340z | ||
CHEMBL3422428 | 118852 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 897 | 19 | 9 | 6 | 3.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/ml500340z | ||
CHEMBL2369972 | 209730 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL373344 | 212152 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL188459 | 209034 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL190102 | 209040 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)Cc1ccccc1 | 10.1021/jm0490033 | ||||
CHEMBL2369977 | 209735 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | ||||
CHEMBL349795 | 211697 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1cccs1)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL152986 | 208774 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm020296e | ||||
CHEMBL317968 | 211184 | 0 | None | - | 0 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | ||||
11813437 | 98501 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 530 | 12 | 2 | 5 | 4.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)CC1 | 10.1021/jm025600i | ||
CHEMBL276301 | 98501 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 530 | 12 | 2 | 5 | 4.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)CC1 | 10.1021/jm025600i | ||
CHEMBL2371147 | 209994 | 0 | None | - | 0 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@]1(C(N)=O)CCc2ccccc2C1 | 10.1021/jm020296e | ||||
44366081 | 10230 | 0 | None | - | 2 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | ||
CHEMBL1161313 | 10230 | 0 | None | - | 2 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | ||
CHEMBL1161322 | 208485 | 0 | None | - | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | ||||
CHEMBL2096742 | 209183 | 0 | None | - | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0202526 | ||||
16049796 | 83437 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 543 | 11 | 5 | 4 | 2.8 | N=C(N)NCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | ||
CHEMBL220018 | 83437 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 543 | 11 | 5 | 4 | 2.8 | N=C(N)NCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | ||
44418438 | 165986 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 458 | 8 | 2 | 3 | 3.5 | O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2006.07.015 | ||
CHEMBL425442 | 165986 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 458 | 8 | 2 | 3 | 3.5 | O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2006.07.015 | ||
CHEMBL1161323 | 208486 | 0 | None | - | 2 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O | 10.1021/jm0202526 | ||||
CHEMBL2371966 | 210140 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | ||||
44418413 | 83184 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 500 | 11 | 2 | 3 | 4.7 | O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | ||
CHEMBL218558 | 83184 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 500 | 11 | 2 | 3 | 4.7 | O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | ||
44418437 | 83146 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 458 | 8 | 2 | 3 | 3.5 | O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2006.07.015 | ||
CHEMBL218361 | 83146 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 458 | 8 | 2 | 3 | 3.5 | O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2006.07.015 | ||
CHEMBL501592 | 214118 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
CHEMBL2371962 | 210136 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0614275 | ||||
44418420 | 141922 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 5 | 1 | 2 | 4.0 | O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | ||
CHEMBL387169 | 141922 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 5 | 1 | 2 | 4.0 | O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | ||
1324 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16154396 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16197727 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
44285019 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
57514683 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
91898441 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL441738 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
DB04931 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
1324 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16154396 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16197727 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
44285019 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
57514683 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
91898441 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL441738 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
DB04931 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
1324 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16154396 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16197727 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
44285019 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
57514683 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
91898441 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL441738 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
DB04931 | 301 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL2096742 | 209183 | 0 | None | - | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm801300c | ||||
CHEMBL2371968 | 210142 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
CHEMBL524861 | 215600 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
CHEMBL2372589 | 210250 | 0 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0202526 | ||||
CHEMBL204310 | 209141 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm0510326 | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL2371965 | 210139 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
71449048 | 78452 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL2111808 | 78452 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL203760 | 209138 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0510326 | ||||
CHEMBL446185 | 213921 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | ||||
CHEMBL1775062 | 208857 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.bmcl.2011.03.019 | ||||
137659790 | 159298 | 0 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||
CHEMBL4099889 | 159298 | 0 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||
CHEMBL190551 | 209043 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL408509 | 212697 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL5077811 | 214493 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL372237 | 212149 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
44396987 | 67163 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL187774 | 67163 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
122184912 | 122532 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601430 | 122532 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
44397220 | 167280 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL429387 | 167280 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL264190 | 210585 | 1 | None | - | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL2096759 | 209185 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
44408287 | 75357 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL203911 | 75357 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL427205 | 213329 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | ||||
49862378 | 15010 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 534 | 8 | 0 | 4 | 4.6 | CC(=O)N(CC(CC(C)C)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209321 | 15010 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 534 | 8 | 0 | 4 | 4.6 | CC(=O)N(CC(CC(C)C)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | ||
15953833 | 78945 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL2113037 | 78945 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
137647538 | 157938 | 0 | None | - | 3 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4084765 | 157938 | 0 | None | - | 3 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
137646617 | 157520 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4080223 | 157520 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL5085972 | 214980 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL3601426 | 211803 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
16132144 | 209256 | 36 | None | -100 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
16133793 | 209256 | 36 | None | -100 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
44273719 | 209256 | 36 | None | -100 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
CHEMBL214332 | 209256 | 36 | None | -100 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
CHEMBL1161321 | 208484 | 0 | None | - | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(Cc3ccccc3C2)NC1=O | 10.1021/jm0202526 | ||||
145976444 | 163939 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 889 | 11 | 12 | 9 | -0.1 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4207858 | 163939 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 889 | 11 | 12 | 9 | -0.1 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
24774521 | 154234 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 861 | 9 | 10 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL398635 | 154234 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 861 | 9 | 10 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
44397652 | 123608 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL361883 | 123608 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
155546131 | 173506 | 0 | None | - | 3 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 929 | 9 | 8 | 10 | -0.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4531291 | 173506 | 0 | None | - | 3 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 929 | 9 | 8 | 10 | -0.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
6918276 | 15579 | 7 | None | -12 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
CHEMBL1221512 | 15579 | 7 | None | -12 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
46919520 | 15106 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 4 | 0 | 5 | 6.3 | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N | 10.1016/j.bmcl.2010.06.068 | ||
CHEMBL1209788 | 15106 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 4 | 0 | 5 | 6.3 | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N | 10.1016/j.bmcl.2010.06.068 | ||
44431512 | 145899 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1038 | 14 | 12 | 10 | 0.9 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
CHEMBL391796 | 145899 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1038 | 14 | 12 | 10 | 0.9 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
CHEMBL5092761 | 215365 | 0 | None | - | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL3577981 | 211726 | 1 | None | -29 | 3 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||||
CHEMBL188738 | 209036 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL5087814 | 215096 | 0 | None | - | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
44448660 | 94944 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL254589 | 94944 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
122184578 | 122404 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600839 | 122404 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
44577515 | 188983 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL508816 | 188983 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
49862375 | 15007 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 624 | 8 | 0 | 6 | 5.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209318 | 15007 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 624 | 8 | 0 | 6 | 5.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 | 10.1016/j.bmcl.2010.06.038 | ||
54586246 | 60787 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 5.0 | CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1762008 | 60787 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 5.0 | CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL376339 | 212221 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
44277696 | 101178 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 770 | 22 | 10 | 8 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/j.bmcl.2005.08.012 | ||
CHEMBL29582 | 101178 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 770 | 22 | 10 | 8 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/j.bmcl.2005.08.012 | ||
6918813 | 131345 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL368876 | 131345 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
44277696 | 101178 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 770 | 22 | 10 | 8 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29582 | 101178 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 770 | 22 | 10 | 8 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00830-2 | ||
118735103 | 118777 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 698 | 15 | 8 | 9 | -0.8 | CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL3421680 | 118777 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 698 | 15 | 8 | 9 | -0.8 | CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
1324 | 301 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16154396 | 301 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16197727 | 301 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
44285019 | 301 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
57514683 | 301 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
91898441 | 301 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
CHEMBL441738 | 301 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
DB04931 | 301 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
54584301 | 60780 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 585 | 6 | 2 | 4 | 4.6 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1C | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761872 | 60780 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 585 | 6 | 2 | 4 | 4.6 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1C | 10.1016/j.bmcl.2011.02.090 | ||
10483153 | 60781 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761873 | 60781 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
54584302 | 60782 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761874 | 60782 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
44397461 | 126201 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 606 | 10 | 2 | 7 | 5.6 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL365005 | 126201 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 606 | 10 | 2 | 7 | 5.6 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL3350396 | 211456 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm960845e | ||||
15953838 | 67240 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | ||
CHEMBL188146 | 67240 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | ||
CHEMBL539306 | 67240 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | ||
122184575 | 122401 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600836 | 122401 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
44408252 | 140644 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 605 | 8 | 3 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381503 | 140644 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 605 | 8 | 3 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
127053937 | 149029 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 11 | 2 | 4 | 4.3 | CCC(CC)CN1CC[C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N[C@H](CCN2CCCCC2)C1=O | nan | ||
CHEMBL3942822 | 149029 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 11 | 2 | 4 | 4.3 | CCC(CC)CN1CC[C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N[C@H](CCN2CCCCC2)C1=O | nan | ||
CHEMBL2371964 | 210138 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
57854102 | 148297 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL3936968 | 148297 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
44348144 | 157798 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)C1CSSCC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL408336 | 157798 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)C1CSSCC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
122184909 | 122528 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601427 | 122528 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL5081077 | 214694 | 0 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]1CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
168282779 | 191147 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccccc2CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5188894 | 191147 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccccc2CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
1338 | 3778 | 43 | None | - | 4 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
9938402 | 3778 | 43 | None | - | 4 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
CHEMBL339053 | 3778 | 43 | None | - | 4 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
CHEMBL190203 | 209041 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL365794 | 212018 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL3600920 | 211800 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
44347840 | 161900 | 0 | None | -208 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | ||
91932630 | 161900 | 0 | None | -208 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | ||
CHEMBL415333 | 161900 | 0 | None | -208 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | ||
CHEMBL1161316 | 208481 | 0 | None | - | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | 10.1021/jm0202526 | ||||
CHEMBL3600840 | 211794 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL3600832 | 211790 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
145973975 | 164633 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4216654 | 164633 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
44408189 | 168855 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 619 | 8 | 2 | 4 | 4.6 | CN1CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL438259 | 168855 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 619 | 8 | 2 | 4 | 4.6 | CN1CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL3349030 | 211382 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL5090670 | 215254 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
137636965 | 156192 | 0 | None | - | 3 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1742 | 21 | 20 | 21 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4064433 | 156192 | 0 | None | - | 3 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1742 | 21 | 20 | 21 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
145964837 | 164323 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 875 | 11 | 12 | 9 | -0.5 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4212629 | 164323 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 875 | 11 | 12 | 9 | -0.5 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL5087859 | 215100 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
118735100 | 118774 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 764 | 15 | 9 | 6 | 1.8 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL3421677 | 118774 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 764 | 15 | 9 | 6 | 1.8 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL3600913 | 211799 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL5090946 | 215262 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
44445085 | 97045 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 879 | 9 | 11 | 9 | 1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL267265 | 97045 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 879 | 9 | 11 | 9 | 1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
44408173 | 75372 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 640 | 8 | 2 | 5 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL203975 | 75372 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 640 | 8 | 2 | 5 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
44408276 | 75478 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 632 | 8 | 2 | 5 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL204308 | 75478 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 632 | 8 | 2 | 5 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
132938008 | 159489 | 0 | None | -17 | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4102048 | 159489 | 0 | None | -17 | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
138106885 | 166887 | 75 | None | -3 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
36314 | 166887 | 75 | None | -3 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
CHEMBL428647 | 166887 | 75 | None | -3 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
168296790 | 192322 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1163 | 17 | 13 | 12 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5206941 | 192322 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1163 | 17 | 13 | 12 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5075712 | 214371 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL5077095 | 214456 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL3601431 | 211804 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL5077144 | 214462 | 0 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
16132144 | 209256 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
16133793 | 209256 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
44273719 | 209256 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
CHEMBL214332 | 209256 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
16132144 | 209256 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
16133793 | 209256 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
44273719 | 209256 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
CHEMBL214332 | 209256 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
44408190 | 96894 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 4.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL265985 | 96894 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 4.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
71449047 | 78451 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL2111807 | 78451 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
44577510 | 188711 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 893 | 12 | 11 | 11 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL504986 | 188711 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 893 | 12 | 11 | 11 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
44408154 | 141337 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 668 | 8 | 2 | 5 | 5.1 | CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)S1(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL383719 | 141337 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 668 | 8 | 2 | 5 | 5.1 | CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)S1(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL3349030 | 211382 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
42630327 | 155847 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1119 | 32 | 19 | 14 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4060381 | 155847 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1119 | 32 | 19 | 14 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.8b00170 | ||
11993702 | 3566 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
5416 | 3566 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
9272 | 3566 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL3301624 | 3566 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
DB11700 | 3566 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
10408 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | ||||
5329 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | ||||
9941379 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | ||||
CHEMBL2070241 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | ||||
DB11653 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | ||||
10408 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | ||||
5329 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | ||||
9941379 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL2070241 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | ||||
DB11653 | 717 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL5083551 | 214846 | 0 | None | - | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL5091236 | 215276 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL190427 | 209042 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL190732 | 209044 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL191063 | 209056 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | ||||
CHEMBL2371835 | 210114 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
168273822 | 190546 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5180152 | 190546 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL2371712 | 210086 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL2371971 | 210145 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](c2ccccc2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL502300 | 214129 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
1324 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16154396 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16197727 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
44285019 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
57514683 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
91898441 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL441738 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
DB04931 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
1324 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16154396 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16197727 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
44285019 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
57514683 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
91898441 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
CHEMBL441738 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
DB04931 | 301 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
CHEMBL413573 | 213052 | 0 | None | 1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | ||||
CHEMBL204263 | 209140 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O | 10.1021/jm0510326 | ||||
CHEMBL425591 | 213315 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | ||||
CHEMBL503229 | 214140 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm801300c | ||||
CHEMBL443071 | 213897 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL500743 | 214101 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
CHEMBL2371967 | 210141 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0614275 | ||||
122184637 | 122410 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600918 | 122410 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL2371963 | 210137 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | ||||
145973779 | 164708 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 929 | 11 | 12 | 9 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4217528 | 164708 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 929 | 11 | 12 | 9 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
44408155 | 140528 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 656 | 10 | 2 | 5 | 4.9 | CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381125 | 140528 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 656 | 10 | 2 | 5 | 4.9 | CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL439691 | 213825 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
44347927 | 157252 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL407680 | 157252 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL1201469 | 14475 | 0 | None | -1 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL5076315 | 214405 | 0 | None | - | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
44448590 | 95570 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL257759 | 95570 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
44417555 | 97211 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 896 | 15 | 9 | 10 | 1.2 | CC(=O)N[C@H]1CSSC[C@@H](C(=O)N(CCCCN=C(N)N)[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm060768f | ||
CHEMBL268684 | 97211 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 896 | 15 | 9 | 10 | 1.2 | CC(=O)N[C@H]1CSSC[C@@H](C(=O)N(CCCCN=C(N)N)[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm060768f | ||
CHEMBL2372588 | 210249 | 0 | None | - | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3N2C1=O | 10.1021/jm0202526 | ||||
145967155 | 164219 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4211275 | 164219 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
44408388 | 140298 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 646 | 8 | 2 | 5 | 5.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL380635 | 140298 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 646 | 8 | 2 | 5 | 5.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
24774519 | 94825 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 911 | 9 | 10 | 8 | 2.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL253788 | 94825 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 911 | 9 | 10 | 8 | 2.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL509582 | 215523 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | ||||
44408275 | 75390 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL204078 | 75390 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL409144 | 212724 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC(=O)O)NC1=O | 10.1021/jm0510326 | ||||
1334 | 1489 | 7 | None | -3 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1489 | 7 | None | -3 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1489 | 7 | None | -3 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL3600841 | 211795 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
4189 | 206899 | 96 | None | -61 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 206899 | 96 | None | -61 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 206899 | 96 | None | -61 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
2247 | 504 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 504 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 504 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 504 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 504 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
1323 | 2669 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
24774438 | 94826 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 816 | 9 | 10 | 9 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL253789 | 94826 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 816 | 9 | 10 | 9 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
6918849 | 122938 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCc3ccccc3[C@@H]2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL360818 | 122938 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCc3ccccc3[C@@H]2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL2371973 | 210147 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(Cc3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
CHEMBL2115441 | 209245 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm960845e | ||||
6918813 | 131345 | 3 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL368876 | 131345 | 3 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
16725559 | 94960 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL254757 | 94960 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
10077258 | 14999 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 596 | 8 | 0 | 5 | 4.5 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209253 | 14999 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 596 | 8 | 0 | 5 | 4.5 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL389674 | 212410 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
1334 | 1489 | 7 | None | -3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16133814 | 1489 | 7 | None | -3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL437050 | 1489 | 7 | None | -3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
137659790 | 159298 | 0 | None | - | 3 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4099889 | 159298 | 0 | None | - | 3 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
122184914 | 122533 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1144 | 17 | 9 | 11 | 1.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601432 | 122533 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1144 | 17 | 9 | 11 | 1.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
1323 | 2669 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL228194 | 209430 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
71456219 | 78718 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL2112603 | 78718 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
1016 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL2221249 | 209420 | 0 | None | -1 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O | nan | ||||
122184635 | 122408 | 0 | None | -3 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600916 | 122408 | 0 | None | -3 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL5091245 | 215277 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
44445083 | 154281 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL398665 | 154281 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL3600834 | 211792 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
155544852 | 174915 | 0 | None | -19 | 4 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 977 | 12 | 10 | 10 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4565367 | 174915 | 0 | None | -19 | 4 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 977 | 12 | 10 | 10 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL426756 | 213326 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
44348200 | 160172 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1511 | 33 | 16 | 22 | -1.7 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | ||
CHEMBL410949 | 160172 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1511 | 33 | 16 | 22 | -1.7 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | ||
44448631 | 95041 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL255286 | 95041 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
49862425 | 15028 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 570 | 9 | 0 | 5 | 4.0 | CC(C)CC(CN(C(C)C)S(C)(=O)=O)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209382 | 15028 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 570 | 9 | 0 | 5 | 4.0 | CC(C)CC(CN(C(C)C)S(C)(=O)=O)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 | 10.1016/j.bmcl.2010.06.038 | ||
137631599 | 156502 | 0 | None | - | 3 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4067967 | 156502 | 0 | None | - | 3 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
2750 | 204038 | 76 | None | -15 | 12 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
CHEMBL7002 | 204038 | 76 | None | -15 | 12 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
44431511 | 88037 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1004 | 14 | 12 | 10 | 0.3 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
CHEMBL234629 | 88037 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1004 | 14 | 12 | 10 | 0.3 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
155548853 | 173785 | 0 | None | -50 | 4 | Mouse | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 1005 | 13 | 10 | 10 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4538274 | 173785 | 0 | None | -50 | 4 | Mouse | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 1005 | 13 | 10 | 10 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL414778 | 213133 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL3600833 | 211791 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL413439 | 213047 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL204864 | 209143 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | ||||
168278924 | 191042 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5187368 | 191042 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
127053935 | 144160 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | ||
CHEMBL3904191 | 144160 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | ||
CHEMBL3752534 | 212193 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL1775066 | 208858 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL382369 | 212282 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | ||||
CHEMBL5075506 | 214356 | 0 | None | - | 3 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
10282847 | 122939 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 634 | 7 | 3 | 4 | 5.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@@]2(C)N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL360819 | 122939 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 634 | 7 | 3 | 4 | 5.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@@]2(C)N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
127053935 | 144160 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | ||
CHEMBL3904191 | 144160 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | ||
71459938 | 78952 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL2113043 | 78952 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL189991 | 209038 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | ||||
CHEMBL275999 | 210803 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL370321 | 212144 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
1338 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.05.012 | ||
9938402 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL339053 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.05.012 | ||
1338 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
9938402 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL339053 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
1338 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
9938402 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
CHEMBL339053 | 3778 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
1334 | 1489 | 7 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1489 | 7 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1489 | 7 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
10210964 | 67213 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 606 | 7 | 3 | 4 | 5.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL187990 | 67213 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 606 | 7 | 3 | 4 | 5.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
16157270 | 212530 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL405282 | 212530 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
44577520 | 188800 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 904 | 12 | 10 | 11 | 1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm701181n | ||
CHEMBL506274 | 188800 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 904 | 12 | 10 | 11 | 1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm701181n | ||
CHEMBL376614 | 212229 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
16157270 | 212530 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL405282 | 212530 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL3600843 | 211797 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL3349030 | 211382 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
57853943 | 146499 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL3922633 | 146499 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL227239 | 209428 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3s2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
155561116 | 174949 | 0 | None | -10 | 4 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 964 | 11 | 11 | 11 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4566163 | 174949 | 0 | None | -10 | 4 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 964 | 11 | 11 | 11 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
145990599 | 166831 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 710 | 17 | 7 | 6 | 2.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
CHEMBL4285535 | 166831 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 710 | 17 | 7 | 6 | 2.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
118735102 | 118776 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 707 | 15 | 8 | 6 | 1.1 | CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL3421679 | 118776 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 707 | 15 | 8 | 6 | 1.1 | CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
2683 | 102861 | 25 | None | -478 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102861 | 25 | None | -478 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102861 | 25 | None | -478 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
24858481 | 189085 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 909 | 12 | 10 | 10 | 2.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL510234 | 189085 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 909 | 12 | 10 | 10 | 2.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
145971389 | 164609 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 851 | 11 | 12 | 9 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4216242 | 164609 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 851 | 11 | 12 | 9 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
11249545 | 66174 | 0 | None | 61 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | ||
CHEMBL184432 | 66174 | 0 | None | 61 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | ||
11364326 | 66656 | 0 | None | 27 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | ||
CHEMBL185455 | 66656 | 0 | None | 27 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | ||
CHEMBL5094168 | 215456 | 0 | None | - | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
122184638 | 122411 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600919 | 122411 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
25444 | 155627 | 6 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1229 | 14 | 17 | 29 | -6.5 | C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C | nan | ||
CHEMBL404811 | 155627 | 6 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1229 | 14 | 17 | 29 | -6.5 | C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C | nan | ||
122184636 | 122409 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600917 | 122409 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL375947 | 212209 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
8447 | 188925 | 84 | None | -50 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
CHEMBL508112 | 188925 | 84 | None | -50 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
3198 | 205490 | 76 | None | -81 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 205490 | 76 | None | -81 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 205490 | 76 | None | -81 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL371610 | 212147 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL1161320 | 208483 | 0 | None | - | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CC2)NC1=O | 10.1021/jm0202526 | ||||
44422999 | 168831 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1040 | 15 | 9 | 10 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||
CHEMBL438118 | 168831 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1040 | 15 | 9 | 10 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||
1323 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
163196518 | 192105 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5203580 | 192105 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL1161318 | 208482 | 0 | None | - | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O | 10.1021/jm0202526 | ||||
44397455 | 123817 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.2 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3CC2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL362523 | 123817 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.2 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3CC2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL381739 | 212269 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0510326 | ||||
57854192 | 153025 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL3975851 | 153025 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
137655905 | 158804 | 0 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1666 | 20 | 22 | 21 | -3.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4094606 | 158804 | 0 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1666 | 20 | 22 | 21 | -3.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
137640703 | 157073 | 0 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4074479 | 157073 | 0 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
168272745 | 190499 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccc(cc2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5179534 | 190499 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccc(cc2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
122184911 | 122530 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601429 | 122530 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
1323 | 2669 | 55 | None | - | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
9808801 | 60779 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 5.0 | CC[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761871 | 60779 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 5.0 | CC[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL383250 | 212289 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | ||||
145966490 | 164338 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 839 | 11 | 12 | 9 | -1.2 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4212762 | 164338 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 839 | 11 | 12 | 9 | -1.2 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
24857886 | 155224 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 591 | 6 | 1 | 3 | 7.2 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL402769 | 155224 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 591 | 6 | 1 | 3 | 7.2 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
68617 | 205504 | 62 | None | -21 | 26 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL1709 | 205504 | 62 | None | -21 | 26 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL809 | 205504 | 62 | None | -21 | 26 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
145980719 | 166472 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 642 | 17 | 7 | 6 | 1.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
CHEMBL4278563 | 166472 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 642 | 17 | 7 | 6 | 1.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
168274393 | 190081 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5172938 | 190081 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
11341045 | 66136 | 0 | None | 22 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL184275 | 66136 | 0 | None | 22 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL3600835 | 211793 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL438920 | 213786 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL2371970 | 210144 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C2CCCCC2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL438294 | 213743 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL203602 | 209137 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm0510326 | ||||
44206252 | 149308 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@@H]1N[C@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL3945076 | 149308 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@@H]1N[C@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL190080 | 209039 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | ||||
CHEMBL2371828 | 210110 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)C(C)=O | 10.1021/jm0490033 | ||||
168273291 | 190508 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1163 | 17 | 13 | 12 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2ccccc2CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5179637 | 190508 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1163 | 17 | 13 | 12 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2ccccc2CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5080784 | 214683 | 0 | None | - | 3 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
44445084 | 160715 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 829 | 9 | 11 | 9 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL411391 | 160715 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 829 | 9 | 11 | 9 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
11341046 | 66850 | 0 | None | 57 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL186339 | 66850 | 0 | None | 57 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | ||
11237444 | 127439 | 0 | None | 245 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | ||
CHEMBL366042 | 127439 | 0 | None | 245 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | ||
10304776 | 78950 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 634 | 7 | 3 | 4 | 6.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2CCCc3ccccc3C2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL2113041 | 78950 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 634 | 7 | 3 | 4 | 6.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2CCCc3ccccc3C2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
54587278 | 60788 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 587 | 6 | 3 | 4 | 4.7 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1762009 | 60788 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 587 | 6 | 3 | 4 | 4.7 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
44366171 | 121268 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | ||
CHEMBL358015 | 121268 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | ||
CHEMBL410795 | 212819 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL5080489 | 214666 | 0 | None | - | 3 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL263948 | 210576 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960840h | ||||
16132144 | 209256 | 36 | None | -100 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960845e | ||||
16133793 | 209256 | 36 | None | -100 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960845e | ||||
44273719 | 209256 | 36 | None | -100 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960845e | ||||
CHEMBL214332 | 209256 | 36 | None | -100 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960845e | ||||
57854192 | 153025 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL3975851 | 153025 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
24858479 | 172585 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 915 | 10 | 10 | 10 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL449124 | 172585 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 915 | 10 | 10 | 10 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
57854192 | 153025 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL3975851 | 153025 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | ||
CHEMBL3349030 | 211382 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL3600922 | 211802 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
24858629 | 195446 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 853 | 10 | 9 | 10 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL552520 | 195446 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 853 | 10 | 9 | 10 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
137660993 | 159423 | 0 | None | - | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4101216 | 159423 | 0 | None | - | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
145948876 | 167459 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
CHEMBL4299441 | 167459 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
CHEMBL5078687 | 214557 | 0 | None | - | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL455070 | 213976 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | ||||
122184634 | 122407 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600915 | 122407 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
122184576 | 122402 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600837 | 122402 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
122184499 | 122367 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1088 | 17 | 13 | 11 | 0.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600737 | 122367 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1088 | 17 | 13 | 11 | 0.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600912 | 211798 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
122184633 | 122406 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600914 | 122406 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600736 | 211789 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
49862377 | 15009 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 654 | 9 | 0 | 6 | 6.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209320 | 15009 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 654 | 9 | 0 | 6 | 6.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 | 10.1016/j.bmcl.2010.06.038 | ||
145976863 | 163734 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 879 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4205548 | 163734 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 879 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
44408253 | 140319 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 650 | 10 | 2 | 5 | 6.1 | CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C(C)C | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL380727 | 140319 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 650 | 10 | 2 | 5 | 6.1 | CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C(C)C | 10.1016/j.bmcl.2005.11.095 | ||
11477853 | 66864 | 0 | None | 38 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | ||
CHEMBL186439 | 66864 | 0 | None | 38 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | ||
CHEMBL5094215 | 215458 | 0 | None | - | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL190953 | 209054 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | ||||
CHEMBL364711 | 212009 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
118735099 | 118773 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 746 | 15 | 9 | 6 | 1.6 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL3421676 | 118773 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 746 | 15 | 9 | 6 | 1.6 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL411359 | 212856 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
10304547 | 168228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@H]2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL433764 | 168228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@H]2N)CC1 | 10.1016/j.bmcl.2005.05.012 | ||
CHEMBL11359 | 9748 | 0 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | ||||
10188529 | 126755 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL365401 | 126755 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | ||
44448629 | 167439 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL429854 | 167439 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL2310901 | 209475 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
10257242 | 14998 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 560 | 7 | 0 | 4 | 5.1 | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209252 | 14998 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 560 | 7 | 0 | 4 | 5.1 | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | ||
137636677 | 156076 | 0 | None | - | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4063111 | 156076 | 0 | None | - | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
44448479 | 155347 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL403420 | 155347 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL5090285 | 215230 | 0 | None | - | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL263822 | 210567 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O | 10.1021/jm0510326 | ||||
168295131 | 192218 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5205283 | 192218 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
71456245 | 78947 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 608 | 9 | 2 | 6 | 6.2 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL2113039 | 78947 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 608 | 9 | 2 | 6 | 6.2 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
1323 | 2669 | 55 | None | - | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL2371969 | 210143 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL393075 | 212439 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2007.02.020 | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
1323 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
92432 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
CHEMBL430239 | 2669 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
11375764 | 66659 | 0 | None | 398 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | ||
CHEMBL185469 | 66659 | 0 | None | 398 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | ||
CHEMBL380638 | 212248 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | ||||
118735101 | 118775 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 824 | 15 | 9 | 6 | 2.4 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(Br)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL3421678 | 118775 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 824 | 15 | 9 | 6 | 2.4 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(Br)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL2371972 | 210146 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CCC(C3CCCCC3)CC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
137641157 | 157040 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1666 | 20 | 22 | 21 | -3.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4074074 | 157040 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1666 | 20 | 22 | 21 | -3.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
137653925 | 158583 | 0 | None | - | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1742 | 21 | 20 | 21 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4092141 | 158583 | 0 | None | - | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1742 | 21 | 20 | 21 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL2112008 | 209203 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL5093939 | 215435 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
71456220 | 78719 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL2112604 | 78719 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
137660671 | 159194 | 0 | None | - | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1708 | 20 | 19 | 21 | -2.8 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4098785 | 159194 | 0 | None | - | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1708 | 20 | 19 | 21 | -2.8 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
44577514 | 172431 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL448081 | 172431 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
2726 | 916 | 68 | None | -112 | 73 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 916 | 68 | None | -112 | 73 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 916 | 68 | None | -112 | 73 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 916 | 68 | None | -112 | 73 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 916 | 68 | None | -112 | 73 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL3349030 | 211382 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
168295644 | 192288 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5206336 | 192288 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL227833 | 209429 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
24774358 | 154880 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 811 | 9 | 10 | 8 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL400866 | 154880 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 811 | 9 | 10 | 8 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL188459 | 209034 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | ||||
CHEMBL191120 | 209057 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | ||||
122184910 | 122529 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601428 | 122529 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
44408286 | 140643 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 634 | 8 | 2 | 5 | 5.5 | CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381501 | 140643 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 634 | 8 | 2 | 5 | 5.5 | CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
9958649 | 124331 | 0 | None | 53 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 | 10.1021/jm0400496 | ||
CHEMBL363730 | 124331 | 0 | None | 53 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 | 10.1021/jm0400496 | ||
137641398 | 158292 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4089162 | 158292 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
11753695 | 8361 | 7 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 599 | 4 | 1 | 3 | 6.7 | CC(=O)NC(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 | 10.1016/j.bmcl.2010.02.058 | ||
CHEMBL1093304 | 8361 | 7 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 599 | 4 | 1 | 3 | 6.7 | CC(=O)NC(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 | 10.1016/j.bmcl.2010.02.058 | ||
44397410 | 124333 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL363740 | 124333 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
52918026 | 60778 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761870 | 60778 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL3349030 | 211382 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
137658158 | 159693 | 0 | None | - | 3 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1714 | 21 | 22 | 21 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
CHEMBL4104465 | 159693 | 0 | None | - | 3 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1714 | 21 | 22 | 21 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | ||
44431513 | 145784 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1054 | 14 | 12 | 10 | 1.4 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
CHEMBL391704 | 145784 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1054 | 14 | 12 | 10 | 1.4 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
44445082 | 154278 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL398664 | 154278 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL3600921 | 211801 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL5087839 | 215097 | 0 | None | - | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | ||||
127053936 | 152216 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 598 | 11 | 2 | 4 | 5.7 | O=C(/C=C/c1ccc(Cl)cc1)NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCN2CCCCC2)N1 | nan | ||
CHEMBL3968918 | 152216 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 598 | 11 | 2 | 4 | 5.7 | O=C(/C=C/c1ccc(Cl)cc1)NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCN2CCCCC2)N1 | nan | ||
CHEMBL3600842 | 211796 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
168285801 | 191457 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5193501 | 191457 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
44347838 | 96614 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1561 | 33 | 16 | 22 | -0.6 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | ||
CHEMBL263585 | 96614 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1561 | 33 | 16 | 22 | -0.6 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | ||
71452720 | 78942 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL2113031 | 78942 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
1337 | 3398 | 6 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
6918851 | 3398 | 6 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL364346 | 3398 | 6 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
176 | 397 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 397 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 397 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 397 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 397 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
122184577 | 122403 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600838 | 122403 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
1212 | 1649 | 50 | None | -416 | 66 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1649 | 50 | None | -416 | 66 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1649 | 50 | None | -416 | 66 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1649 | 50 | None | -416 | 66 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1649 | 50 | None | -416 | 66 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
44348183 | 97136 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 1493 | 31 | 14 | 21 | -0.8 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL268094 | 97136 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 1493 | 31 | 14 | 21 | -0.8 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
44396986 | 67402 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL188966 | 67402 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL442504 | 213893 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | ||||
CHEMBL415165 | 213153 | 0 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | ||||
CHEMBL414718 | 213128 | 0 | None | -2 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm0501432 | ||||
CHEMBL408843 | 212712 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
57646411 | 76892 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1739 | 49 | 24 | 20 | -1.7 | CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070245 | 76892 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1739 | 49 | 24 | 20 | -1.7 | CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
1324 | 301 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
16154396 | 301 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
16197727 | 301 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
44285019 | 301 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
57514683 | 301 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
91898441 | 301 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
CHEMBL441738 | 301 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
DB04931 | 301 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
CHEMBL1923667 | 209065 | 0 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm201226w | ||||
CHEMBL1923665 | 209064 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm201226w | ||||
CHEMBL266879 | 210683 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0501432 | ||||
CHEMBL2370964 | 209944 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
57646437 | 76893 | 0 | None | -10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1855 | 51 | 23 | 23 | -2.2 | CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
70684621 | 76893 | 0 | None | -10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1855 | 51 | 23 | 23 | -2.2 | CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
91929804 | 76893 | 0 | None | -10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1855 | 51 | 23 | 23 | -2.2 | CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070246 | 76893 | 0 | None | -10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1855 | 51 | 23 | 23 | -2.2 | CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
56851058 | 69044 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1823 | 57 | 25 | 20 | -0.9 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | ||
57394091 | 69044 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1823 | 57 | 25 | 20 | -0.9 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | ||
91930626 | 69044 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1823 | 57 | 25 | 20 | -0.9 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | ||
CHEMBL1923666 | 69044 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1823 | 57 | 25 | 20 | -0.9 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | ||
57646441 | 76891 | 0 | None | -13 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1706 | 46 | 22 | 20 | -1.4 | CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070243 | 76891 | 0 | None | -13 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1706 | 46 | 22 | 20 | -1.4 | CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
57817773 | 76896 | 0 | None | -58 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
70684623 | 76896 | 0 | None | -58 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
91929806 | 76896 | 0 | None | -58 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070249 | 76896 | 0 | None | -58 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
9915636 | 66794 | 0 | None | -48 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | ||
CHEMBL186083 | 66794 | 0 | None | -48 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | ||
44395681 | 66840 | 0 | None | -70 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 567 | 13 | 3 | 6 | 3.8 | NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | ||
CHEMBL186289 | 66840 | 0 | None | -70 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 567 | 13 | 3 | 6 | 3.8 | NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | ||
16046215 | 80060 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 5.2 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 | 10.1016/j.bmcl.2006.06.075 | ||
CHEMBL213122 | 80060 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 5.2 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 | 10.1016/j.bmcl.2006.06.075 | ||
16046215 | 80060 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 5.2 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 | 10.1021/jm701137s | ||
CHEMBL213122 | 80060 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 5.2 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 | 10.1021/jm701137s | ||
9915636 | 66794 | 0 | None | -48 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | ||
CHEMBL186083 | 66794 | 0 | None | -48 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | ||
156010247 | 177048 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 2913 | 40 | 44 | 46 | -16.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00485 | ||
CHEMBL4633001 | 177048 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 2913 | 40 | 44 | 46 | -16.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00485 | ||
44434706 | 89568 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237504 | 89568 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44434860 | 90013 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 8 | 2 | 2 | 5.9 | N[C@H]1CC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238159 | 90013 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 8 | 2 | 2 | 5.9 | N[C@H]1CC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434632 | 146284 | 0 | None | -1 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 375 | 10 | 2 | 2 | 4.4 | NCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL392096 | 146284 | 0 | None | -1 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 375 | 10 | 2 | 2 | 4.4 | NCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434601 | 146443 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 358 | 8 | 1 | 2 | 4.3 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL392223 | 146443 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 358 | 8 | 1 | 2 | 4.3 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | ||
44434870 | 148124 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 8 | 2 | 2 | 5.9 | NC1CCCC(N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393553 | 148124 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 8 | 2 | 2 | 5.9 | NC1CCCC(N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | ||
71454518 | 79121 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 456 | 10 | 4 | 3 | 3.3 | NC(N)=NCCC[C@H](N)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL2113315 | 79121 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 456 | 10 | 4 | 3 | 3.3 | NC(N)=NCCC[C@H](N)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
2817655 | 205548 | 5 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 297 | 4 | 1 | 1 | 5.3 | c1ccc2cc(CNCc3cccc4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8129 | 205548 | 5 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 297 | 4 | 1 | 1 | 5.3 | c1ccc2cc(CNCc3cccc4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
11191792 | 67156 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 4.7 | CC1C(=O)NCCN1/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | ||
CHEMBL187757 | 67156 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 4.7 | CC1C(=O)NCCN1/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | ||
9958649 | 124331 | 0 | None | 53 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 | 10.1021/jm0400496 | ||
CHEMBL363730 | 124331 | 0 | None | 53 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 | 10.1021/jm0400496 | ||
CHEMBL2070373 | 209163 | 0 | None | -14 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||||
44577062 | 193350 | 0 | None | -26 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL525177 | 193350 | 0 | None | -26 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
44577090 | 178642 | 0 | None | -109 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 9 | 2 | 4 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL467771 | 178642 | 0 | None | -109 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 9 | 2 | 4 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
44577060 | 188028 | 0 | None | -316 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 4.8 | CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL497746 | 188028 | 0 | None | -316 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 4.8 | CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | ||
44434692 | 88496 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 651 | 13 | 3 | 5 | 8.3 | COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235176 | 88496 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 651 | 13 | 3 | 5 | 8.3 | COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
44434841 | 88672 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 455 | 11 | 4 | 2 | 4.9 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236022 | 88672 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 455 | 11 | 4 | 2 | 4.9 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
10137615 | 89707 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 9 | 2 | 2 | 5.4 | CC(c1ccc(C(F)(F)F)cc1)N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237692 | 89707 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 9 | 2 | 2 | 5.4 | CC(c1ccc(C(F)(F)F)cc1)N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434754 | 90207 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 557 | 11 | 3 | 4 | 7.2 | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238345 | 90207 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 557 | 11 | 3 | 4 | 7.2 | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434862 | 90219 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 10 | 2 | 2 | 6.4 | NCC1CCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238368 | 90219 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 10 | 2 | 2 | 6.4 | NCC1CCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434600 | 148578 | 0 | None | 1 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 361 | 9 | 2 | 2 | 4.0 | NCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393918 | 148578 | 0 | None | 1 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 361 | 9 | 2 | 2 | 4.0 | NCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434763 | 151319 | 0 | None | -17 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 685 | 13 | 3 | 5 | 9.0 | COc1cc(Cl)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL396111 | 151319 | 0 | None | -17 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 685 | 13 | 3 | 5 | 9.0 | COc1cc(Cl)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
6918276 | 15579 | 7 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
CHEMBL1221512 | 15579 | 7 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
168282596 | 190882 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 2990 | 66 | 33 | 37 | -3.8 | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5185132 | 190882 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 2990 | 66 | 33 | 37 | -3.8 | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL2370966 | 209946 | 0 | None | 28 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
9960253 | 116923 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 595 | 8 | 3 | 6 | 2.8 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | ||
CHEMBL338594 | 116923 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 595 | 8 | 3 | 6 | 2.8 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | ||
24848995 | 117921 | 0 | None | -50 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 583 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | ||
CHEMBL340355 | 117921 | 0 | None | -50 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 583 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | ||
44415417 | 80117 | 0 | None | -10 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 7 | 1 | 3 | 5.5 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | ||
CHEMBL213380 | 80117 | 0 | None | -10 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 7 | 1 | 3 | 5.5 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | ||
23635235 | 166477 | 0 | None | -223 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL427860 | 166477 | 0 | None | -223 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | ||
10232787 | 140356 | 0 | None | -165 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 619 | 12 | 2 | 5 | 5.0 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
CHEMBL380855 | 140356 | 0 | None | -165 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 619 | 12 | 2 | 5 | 5.0 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
24740419 | 148170 | 0 | None | -478 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 11 | 1 | 5 | 5.4 | Cc1ccc([C@@H](CC(C)C)NC(=O)CCN(C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 | 10.1021/jm701137s | ||
CHEMBL393584 | 148170 | 0 | None | -478 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 11 | 1 | 5 | 5.4 | Cc1ccc([C@@H](CC(C)C)NC(=O)CCN(C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 | 10.1021/jm701137s | ||
44397281 | 126518 | 0 | None | -109 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 587 | 12 | 3 | 5 | 4.0 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCCc3ccccc3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
CHEMBL365237 | 126518 | 0 | None | -109 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 587 | 12 | 3 | 5 | 4.0 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCCc3ccccc3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
44434694 | 88572 | 0 | None | -5 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 665 | 14 | 3 | 5 | 8.7 | CCOc1cc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235589 | 88572 | 0 | None | -5 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 665 | 14 | 3 | 5 | 8.7 | CCOc1cc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC | 10.1016/j.bmc.2007.06.003 | ||
44434611 | 88585 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 373 | 6 | 2 | 2 | 3.9 | NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235627 | 88585 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 373 | 6 | 2 | 2 | 3.9 | NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
44435220 | 89223 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 609 | 10 | 2 | 3 | 8.9 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236803 | 89223 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 609 | 10 | 2 | 3 | 8.9 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434701 | 89472 | 0 | None | -9 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1cccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237291 | 89472 | 0 | None | -9 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1cccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1 | 10.1016/j.bmc.2007.06.003 | ||
10177247 | 89485 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.2 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237314 | 89485 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.2 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434599 | 89890 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 7 | 2 | 2 | 3.7 | NCCCN(C/C=C/c1ccccc1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237957 | 89890 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 7 | 2 | 2 | 3.7 | NCCCN(C/C=C/c1ccccc1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434581 | 167027 | 0 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 395 | 7 | 2 | 2 | 5.2 | NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL428903 | 167027 | 0 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 395 | 7 | 2 | 2 | 5.2 | NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
71461662 | 79087 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 442 | 9 | 4 | 3 | 3.2 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1cccc2ccccc12)Cc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL2113280 | 79087 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 442 | 9 | 4 | 3 | 3.2 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1cccc2ccccc12)Cc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL2070374 | 209164 | 0 | None | -22 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CNC(=O)CN(CC(=O)O)CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||||
44577092 | 178621 | 0 | None | -11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL467586 | 178621 | 0 | None | -11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
44347119 | 114396 | 0 | None | -346 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 752 | 9 | 10 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL333178 | 114396 | 0 | None | -346 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 752 | 9 | 10 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
44433294 | 153019 | 0 | None | -676 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 619 | 11 | 2 | 5 | 4.6 | CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | ||
CHEMBL397580 | 153019 | 0 | None | -676 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 619 | 11 | 2 | 5 | 4.6 | CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | ||
23653113 | 88623 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235798 | 88623 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434616 | 88666 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 377 | 10 | 2 | 2 | 4.8 | CCC(c1ccccc1)N(CCCCN)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236003 | 88666 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 377 | 10 | 2 | 2 | 4.8 | CCC(c1ccccc1)N(CCCCN)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434570 | 89750 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237719 | 89750 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434598 | 89787 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237743 | 89787 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
168289584 | 191762 | 0 | None | -10 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 3108 | 98 | 37 | 41 | -6.4 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5198158 | 191762 | 0 | None | -10 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 3108 | 98 | 37 | 41 | -6.4 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL2370968 | 209948 | 0 | None | -70 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
44347331 | 16295 | 0 | None | -257 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
CHEMBL122773 | 16295 | 0 | None | -257 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
44323234 | 168032 | 0 | None | -11 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL432377 | 168032 | 0 | None | -11 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
11226756 | 119948 | 0 | None | -23 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 559 | 8 | 2 | 5 | 3.5 | CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | ||
CHEMBL349850 | 119948 | 0 | None | -23 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 559 | 8 | 2 | 5 | 3.5 | CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | ||
10211466 | 168876 | 0 | None | -19 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 633 | 12 | 2 | 5 | 5.1 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2(C)NCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
CHEMBL438432 | 168876 | 0 | None | -19 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 633 | 12 | 2 | 5 | 5.1 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2(C)NCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
44397283 | 67136 | 0 | None | -112 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 591 | 11 | 3 | 5 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
CHEMBL187659 | 67136 | 0 | None | -112 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 591 | 11 | 3 | 5 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
44393418 | 155676 | 0 | None | -14 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 589 | 8 | 2 | 7 | 3.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
CHEMBL405150 | 155676 | 0 | None | -14 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 589 | 8 | 2 | 7 | 3.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
2852098 | 205441 | 13 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 300 | 5 | 2 | 1 | 4.7 | c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8045 | 205441 | 13 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 300 | 5 | 2 | 1 | 4.7 | c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
11272524 | 66833 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 528 | 6 | 2 | 2 | 6.9 | CC1CC(C)CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | ||
CHEMBL186249 | 66833 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 528 | 6 | 2 | 2 | 6.9 | CC1CC(C)CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | ||
57817730 | 76894 | 0 | None | -75 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1919 | 56 | 24 | 26 | -3.5 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
70684622 | 76894 | 0 | None | -75 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1919 | 56 | 24 | 26 | -3.5 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
91929805 | 76894 | 0 | None | -75 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1919 | 56 | 24 | 26 | -3.5 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070247 | 76894 | 0 | None | -75 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1919 | 56 | 24 | 26 | -3.5 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL438235 | 213736 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | ||||
44347221 | 16603 | 0 | None | -173 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL124169 | 16603 | 0 | None | -173 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
16132144 | 209256 | 36 | None | -100 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm201489a | ||||
16133793 | 209256 | 36 | None | -100 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm201489a | ||||
44273719 | 209256 | 36 | None | -100 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm201489a | ||||
CHEMBL214332 | 209256 | 36 | None | -100 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm201489a | ||||
44265672 | 10149 | 0 | None | -6 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 442 | 10 | 5 | 3 | 3.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL1159699 | 10149 | 0 | None | -6 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 442 | 10 | 5 | 3 | 3.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | ||
44265707 | 10152 | 0 | None | -2 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 354 | 10 | 3 | 4 | 2.1 | C=CCOC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL1159701 | 10152 | 0 | None | -2 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 354 | 10 | 3 | 4 | 2.1 | C=CCOC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
44434790 | 90210 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 399 | 7 | 4 | 2 | 3.4 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238353 | 90210 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 399 | 7 | 4 | 2 | 3.4 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434703 | 146083 | 0 | None | -12 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1ccccc1CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL391944 | 146083 | 0 | None | -12 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1ccccc1CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434765 | 161747 | 0 | None | -13 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 643 | 11 | 3 | 3 | 9.1 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL413982 | 161747 | 0 | None | -13 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 643 | 11 | 3 | 3 | 9.1 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
51346771 | 58196 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 671 | 10 | 2 | 9 | 3.3 | COCC(=O)N[C@H]1Cc2cc3c(c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O)OCOC3 | 10.1016/j.bmcl.2011.01.011 | ||
CHEMBL1682208 | 58196 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 671 | 10 | 2 | 9 | 3.3 | COCC(=O)N[C@H]1Cc2cc3c(c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O)OCOC3 | 10.1016/j.bmcl.2011.01.011 | ||
CHEMBL2370553 | 209847 | 0 | None | -10 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
44400935 | 70833 | 0 | None | -104 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 613 | 10 | 2 | 5 | 5.5 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)N1CCCC1 | 10.1016/j.bmcl.2005.03.053 | ||
CHEMBL195110 | 70833 | 0 | None | -104 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 613 | 10 | 2 | 5 | 5.5 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)N1CCCC1 | 10.1016/j.bmcl.2005.03.053 | ||
44432966 | 146276 | 0 | None | -1659 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 560 | 14 | 0 | 6 | 6.7 | COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | ||
CHEMBL392092 | 146276 | 0 | None | -1659 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 560 | 14 | 0 | 6 | 6.7 | COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | ||
44393417 | 96562 | 0 | None | -40 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 589 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2Cn2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
CHEMBL263182 | 96562 | 0 | None | -40 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 589 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2Cn2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
44434865 | 88721 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 589 | 10 | 4 | 3 | 6.5 | NC1CCCC(NC(=O)NC2CCCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236226 | 88721 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 589 | 10 | 4 | 3 | 6.5 | NC1CCCC(NC(=O)NC2CCCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | ||
10200110 | 89704 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 385 | 8 | 2 | 2 | 4.6 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237687 | 89704 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 385 | 8 | 2 | 2 | 4.6 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434828 | 148098 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393532 | 148098 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434702 | 149489 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1cccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394646 | 149489 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1cccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1 | 10.1016/j.bmc.2007.06.003 | ||
138106885 | 166887 | 75 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
36314 | 166887 | 75 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
CHEMBL428647 | 166887 | 75 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
CHEMBL2370963 | 209943 | 0 | None | -11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
10408 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | ||||
5329 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | ||||
9941379 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | ||||
CHEMBL2070241 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | ||||
DB11653 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | ||||
16007285 | 81093 | 0 | None | -13 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 586 | 10 | 2 | 4 | 5.8 | CCC(C)[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | ||
CHEMBL215659 | 81093 | 0 | None | -13 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 586 | 10 | 2 | 4 | 5.8 | CCC(C)[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | ||
CHEMBL409049 | 212722 | 0 | None | -141 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | ||||
44434855 | 90001 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238154 | 90001 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
44393441 | 66399 | 0 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 502 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
CHEMBL185195 | 66399 | 0 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 502 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
44392514 | 123841 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 575 | 7 | 2 | 7 | 3.0 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H]2CCCC[C@@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
CHEMBL362670 | 123841 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 575 | 7 | 2 | 7 | 3.0 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H]2CCCC[C@@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
44434794 | 88491 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 413 | 8 | 4 | 2 | 3.8 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235147 | 88491 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 413 | 8 | 4 | 2 | 3.8 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434850 | 89145 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236645 | 89145 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44434656 | 89994 | 0 | None | -6 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 10 | 2 | 2 | 5.2 | C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)/C=C/c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238136 | 89994 | 0 | None | -6 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 10 | 2 | 2 | 5.2 | C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)/C=C/c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
11284919 | 66160 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 605 | 7 | 2 | 3 | 7.3 | Cc1ccc(C)c(N2CCN(/C(=N/c3ccc(C(=O)NCCc4ccc(Cl)cc4Cl)cc3)NC3CCCCC3)CC2)c1 | 10.1021/jm0400496 | ||
CHEMBL184385 | 66160 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 605 | 7 | 2 | 3 | 7.3 | Cc1ccc(C)c(N2CCN(/C(=N/c3ccc(C(=O)NCCc4ccc(Cl)cc4Cl)cc3)NC3CCCCC3)CC2)c1 | 10.1021/jm0400496 | ||
CHEMBL420167 | 213219 | 0 | None | -11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||||
11341045 | 66136 | 0 | None | 22 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL184275 | 66136 | 0 | None | 22 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | ||
23635107 | 91529 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1021/jm070806a | ||
CHEMBL240571 | 91529 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1021/jm070806a | ||
23635107 | 91529 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL240571 | 91529 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
44562440 | 179017 | 0 | None | -27 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 534 | 10 | 3 | 5 | 3.7 | CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
CHEMBL471340 | 179017 | 0 | None | -27 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 534 | 10 | 3 | 5 | 3.7 | CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
44392535 | 64242 | 0 | None | -33 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 575 | 8 | 2 | 7 | 2.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
CHEMBL180937 | 64242 | 0 | None | -33 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 575 | 8 | 2 | 7 | 2.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
44434872 | 88535 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235382 | 88535 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | ||
44434758 | 88665 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 755 | 14 | 3 | 5 | 9.6 | COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236002 | 88665 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 755 | 14 | 3 | 5 | 9.6 | COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
9924916 | 88980 | 0 | None | 2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 357 | 6 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236447 | 88980 | 0 | None | 2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 357 | 6 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434781 | 89875 | 0 | None | -23 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 485 | 9 | 2 | 2 | 7.0 | NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237919 | 89875 | 0 | None | -23 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 485 | 9 | 2 | 2 | 7.0 | NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
9969456 | 147592 | 0 | None | -10 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393125 | 147592 | 0 | None | -10 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434863 | 148120 | 0 | None | -7 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393552 | 148120 | 0 | None | -7 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
2163781 | 97348 | 9 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 289 | 5 | 3 | 1 | 4.0 | c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL269653 | 97348 | 9 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 289 | 5 | 3 | 1 | 4.0 | c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1 | 10.1016/s0960-894x(02)00088-4 | ||
168281969 | 191254 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 3072 | 100 | 37 | 39 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5190661 | 191254 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 3072 | 100 | 37 | 39 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL1201469 | 14475 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL438030 | 213721 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
44397304 | 126800 | 0 | None | -158 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 579 | 11 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3cccs3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
CHEMBL365465 | 126800 | 0 | None | -158 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 579 | 11 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3cccs3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
10270570 | 89004 | 0 | None | -4 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 371 | 6 | 2 | 2 | 4.4 | CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236450 | 89004 | 0 | None | -4 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 371 | 6 | 2 | 2 | 4.4 | CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434639 | 148133 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.1 | NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393557 | 148133 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.1 | NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
168273045 | 190230 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 2905 | 62 | 33 | 37 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5175392 | 190230 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 2905 | 62 | 33 | 37 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
168281969 | 191254 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 3072 | 100 | 37 | 39 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5190661 | 191254 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 3072 | 100 | 37 | 39 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
11375764 | 66659 | 0 | None | 398 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | ||
CHEMBL185469 | 66659 | 0 | None | 398 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | ||
59149264 | 76773 | 0 | None | -22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1946 | 57 | 23 | 26 | -3.0 | CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
70684624 | 76773 | 0 | None | -22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1946 | 57 | 23 | 26 | -3.0 | CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
91929810 | 76773 | 0 | None | -22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1946 | 57 | 23 | 26 | -3.0 | CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2069317 | 76773 | 0 | None | -22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1946 | 57 | 23 | 26 | -3.0 | CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL331259 | 211338 | 0 | None | -70 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | ||||
44410802 | 140360 | 0 | None | -114 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 633 | 12 | 1 | 5 | 5.3 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2c3ccccc3CN2C)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
CHEMBL380858 | 140360 | 0 | None | -114 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 633 | 12 | 1 | 5 | 5.3 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2c3ccccc3CN2C)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
44434661 | 88484 | 0 | None | -5 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 415 | 11 | 2 | 3 | 4.4 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235136 | 88484 | 0 | None | -5 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 415 | 11 | 2 | 3 | 4.4 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44434683 | 89274 | 0 | None | -5 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 10 | 3 | 3 | 4.9 | C/C(=C\c1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236847 | 89274 | 0 | None | -5 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 10 | 3 | 3 | 4.9 | C/C(=C\c1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 | 10.1016/j.bmc.2007.06.003 | ||
9946358 | 151934 | 0 | None | 1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCN(CCCc1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL396655 | 151934 | 0 | None | 1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCN(CCCc1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434635 | 168863 | 0 | None | -1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 4.3 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL438334 | 168863 | 0 | None | -1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 4.3 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
11364326 | 66656 | 0 | None | 27 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | ||
CHEMBL185455 | 66656 | 0 | None | 27 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | ||
CHEMBL410168 | 212781 | 0 | None | -9 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
CHEMBL427629 | 213334 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
1334 | 1489 | 7 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
16133814 | 1489 | 7 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
CHEMBL437050 | 1489 | 7 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
16038315 | 138733 | 0 | None | -309 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 612 | 13 | 3 | 7 | 3.5 | COc1ccccc1CCNCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2006.04.069 | ||
CHEMBL378046 | 138733 | 0 | None | -309 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 612 | 13 | 3 | 7 | 3.5 | COc1ccccc1CCNCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2006.04.069 | ||
44434685 | 89142 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 497 | 14 | 3 | 3 | 6.3 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236638 | 89142 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 497 | 14 | 3 | 3 | 6.3 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434839 | 88624 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 4 | 2 | 4.5 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235802 | 88624 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 4 | 2 | 4.5 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434767 | 89706 | 0 | None | -14 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 616 | 11 | 3 | 4 | 8.2 | N#Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237689 | 89706 | 0 | None | -14 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 616 | 11 | 3 | 4 | 8.2 | N#Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44434682 | 148580 | 0 | None | -8 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 451 | 13 | 2 | 2 | 6.1 | NCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393919 | 148580 | 0 | None | -8 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 451 | 13 | 2 | 2 | 6.1 | NCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434771 | 148766 | 0 | None | -10 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 627 | 11 | 3 | 3 | 8.6 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394073 | 148766 | 0 | None | -10 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 627 | 11 | 3 | 3 | 8.6 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
4189 | 206899 | 96 | None | -61 | 34 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 206899 | 96 | None | -61 | 34 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 206899 | 96 | None | -61 | 34 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
2247 | 504 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 504 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 504 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 504 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 504 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL2370533 | 209845 | 0 | None | -10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
CHEMBL263878 | 210575 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
156015336 | 177495 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 3793 | 77 | 53 | 60 | -15.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2 | 10.1021/acs.jmedchem.0c00485 | ||
CHEMBL4639782 | 177495 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 3793 | 77 | 53 | 60 | -15.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2 | 10.1021/acs.jmedchem.0c00485 | ||
44434652 | 89872 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 403 | 12 | 2 | 2 | 5.2 | NCCCCCN(C/C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237912 | 89872 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 403 | 12 | 2 | 2 | 5.2 | NCCCCCN(C/C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434707 | 149523 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394667 | 149523 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
10077773 | 87238 | 4 | None | -1122 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 559 | 14 | 1 | 6 | 7.4 | CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | ||
CHEMBL233135 | 87238 | 4 | None | -1122 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 559 | 14 | 1 | 6 | 7.4 | CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | ||
44434769 | 89710 | 0 | None | -13 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 659 | 11 | 3 | 3 | 9.6 | NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237698 | 89710 | 0 | None | -13 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 659 | 11 | 3 | 3 | 9.6 | NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434857 | 154403 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 475 | 13 | 2 | 4 | 3.9 | NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL398980 | 154403 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 475 | 13 | 2 | 4 | 3.9 | NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
168286369 | 191688 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 2962 | 64 | 33 | 37 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5197030 | 191688 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 2962 | 64 | 33 | 37 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
168283984 | 191222 | 0 | None | -3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 2937 | 64 | 35 | 39 | -7.9 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5190172 | 191222 | 0 | None | -3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 2937 | 64 | 35 | 39 | -7.9 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
11785639 | 127437 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.3 | NC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1 | 10.1021/jm0400496 | ||
CHEMBL366036 | 127437 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.3 | NC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1 | 10.1021/jm0400496 | ||
44400812 | 71271 | 0 | None | -457 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 667 | 12 | 3 | 5 | 6.3 | O=C(NCc1ccccc1F)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
CHEMBL195734 | 71271 | 0 | None | -457 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 667 | 12 | 3 | 5 | 6.3 | O=C(NCc1ccccc1F)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
11156852 | 65655 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 2.9 | NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | ||
CHEMBL183434 | 65655 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 2.9 | NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | ||
11156852 | 65655 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 2.9 | NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm049278i | ||
CHEMBL183434 | 65655 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 2.9 | NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm049278i | ||
44434592 | 89486 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237315 | 89486 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434753 | 89705 | 0 | None | -9 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 699 | 12 | 3 | 4 | 9.1 | COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237688 | 89705 | 0 | None | -9 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 699 | 12 | 3 | 4 | 9.1 | COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br | 10.1016/j.bmc.2007.06.003 | ||
10159196 | 89709 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 11 | 2 | 4 | 4.4 | NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237694 | 89709 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 11 | 2 | 4 | 4.4 | NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
10269187 | 90087 | 0 | None | -4 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.5 | NCCCN(C(=O)c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238180 | 90087 | 0 | None | -4 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.5 | NCCCN(C(=O)c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
44434868 | 149527 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 635 | 11 | 5 | 4 | 6.7 | NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394669 | 149527 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 635 | 11 | 5 | 4 | 6.7 | NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL407809 | 212662 | 0 | None | -851 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | ||||
CHEMBL433645 | 213620 | 0 | None | -6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||||
CHEMBL428326 | 213415 | 0 | None | -47 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm0501432 | ||||
24873537 | 146036 | 0 | None | -20 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | ||
CHEMBL391902 | 146036 | 0 | None | -20 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | ||
11181804 | 128481 | 0 | None | -21 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 641 | 11 | 3 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | ||
CHEMBL366706 | 128481 | 0 | None | -21 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 641 | 11 | 3 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | ||
44434562 | 88669 | 0 | None | -301 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 10 | 3 | 5 | 3.9 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmc.2007.05.026 | ||
CHEMBL236014 | 88669 | 0 | None | -301 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 10 | 3 | 5 | 3.9 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmc.2007.05.026 | ||
44347378 | 114408 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 818 | 11 | 11 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL333262 | 114408 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 818 | 11 | 11 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
44434843 | 88671 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 587 | 11 | 4 | 2 | 7.6 | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236020 | 88671 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 587 | 11 | 4 | 2 | 7.6 | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434657 | 90205 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238341 | 90205 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | ||
1016 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3720 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL2221249 | 209420 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O | nan | ||||
168271899 | 190577 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 3020 | 70 | 35 | 39 | -5.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5180727 | 190577 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 3020 | 70 | 35 | 39 | -5.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
44433264 | 89322 | 0 | None | -56 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 598 | 8 | 1 | 4 | 5.9 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | ||
CHEMBL236940 | 89322 | 0 | None | -56 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 598 | 8 | 1 | 4 | 5.9 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | ||
44347379 | 114409 | 0 | None | -4 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 750 | 9 | 9 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(C(N)=O)N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL333263 | 114409 | 0 | None | -4 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 750 | 9 | 9 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(C(N)=O)N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
44265496 | 97020 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL267020 | 97020 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
9968756 | 89480 | 0 | None | -15 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 358 | 5 | 1 | 2 | 3.7 | NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237299 | 89480 | 0 | None | -15 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 358 | 5 | 1 | 2 | 3.7 | NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
10292084 | 148371 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 3.4 | NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393755 | 148371 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 3.4 | NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
44434614 | 151560 | 1 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.9 | NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL396341 | 151560 | 1 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.9 | NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44265496 | 97020 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | ||
CHEMBL267020 | 97020 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | ||
CHEMBL266417 | 210660 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | ||||
44322868 | 105981 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 917 | 11 | 12 | 9 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL313279 | 105981 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 917 | 11 | 12 | 9 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
11341046 | 66850 | 0 | None | 57 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL186339 | 66850 | 0 | None | 57 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | ||
44394079 | 126739 | 0 | None | -9 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 653 | 11 | 3 | 5 | 4.9 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2ccccc2F)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | ||
CHEMBL365278 | 126739 | 0 | None | -9 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 653 | 11 | 3 | 5 | 4.9 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2ccccc2F)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | ||
71461657 | 79010 | 0 | None | 4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 556 | 6 | 2 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CCCC3)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.07.035 | ||
CHEMBL2113144 | 79010 | 0 | None | 4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 556 | 6 | 2 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CCCC3)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.07.035 | ||
44434845 | 147878 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 527 | 10 | 4 | 2 | 6.5 | N=C(N)NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393350 | 147878 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 527 | 10 | 4 | 2 | 6.5 | N=C(N)NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
2750 | 204038 | 76 | None | -15 | 12 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
CHEMBL7002 | 204038 | 76 | None | -15 | 12 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
CHEMBL439128 | 213802 | 0 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
10033237 | 69042 | 0 | None | -158 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm201226w | ||
CHEMBL1923662 | 69042 | 0 | None | -158 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm201226w | ||
CHEMBL2070254 | 209162 | 0 | None | -7 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||||
11296600 | 122917 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 628 | 9 | 4 | 6 | 3.8 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | ||
CHEMBL360716 | 122917 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 628 | 9 | 4 | 6 | 3.8 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | ||
44347106 | 115034 | 0 | None | -46 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 738 | 9 | 10 | 7 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL334309 | 115034 | 0 | None | -46 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 738 | 9 | 10 | 7 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
44265496 | 97020 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL267020 | 97020 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
10132207 | 88622 | 0 | None | -7 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235797 | 88622 | 0 | None | -7 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434843 | 88671 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 587 | 11 | 4 | 2 | 7.6 | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236020 | 88671 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 587 | 11 | 4 | 2 | 7.6 | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL268851 | 210746 | 0 | None | -33 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||||
168279695 | 191111 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 66 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5188196 | 191111 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 66 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
168285313 | 191377 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5192562 | 191377 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
6918814 | 127031 | 1 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 587 | 12 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | ||
CHEMBL365597 | 127031 | 1 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 587 | 12 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | ||
58777892 | 79015 | 0 | None | -4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 3.9 | CN(C)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 | 10.1016/j.bmcl.2005.07.035 | ||
CHEMBL2113149 | 79015 | 0 | None | -4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 3.9 | CN(C)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 | 10.1016/j.bmcl.2005.07.035 | ||
44434799 | 88574 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 8 | 4 | 2 | 3.8 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235592 | 88574 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 8 | 4 | 2 | 3.8 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434653 | 145790 | 0 | None | -36 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 437 | 12 | 2 | 2 | 5.7 | NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL391706 | 145790 | 0 | None | -36 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 437 | 12 | 2 | 2 | 5.7 | NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44265347 | 96938 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 426 | 10 | 4 | 4 | 3.3 | NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL266305 | 96938 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 426 | 10 | 4 | 4 | 3.3 | NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
11192466 | 66057 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 577 | 7 | 2 | 3 | 6.9 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL183842 | 66057 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 577 | 7 | 2 | 3 | 6.9 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 | 10.1021/jm0400496 | ||
9946241 | 89403 | 0 | None | -7 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237079 | 89403 | 0 | None | -7 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | ||
44434687 | 159468 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 465 | 14 | 2 | 2 | 6.5 | NCCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL410179 | 159468 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 465 | 14 | 2 | 2 | 6.5 | NCCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
70688853 | 76895 | 0 | None | -9 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1495 | 39 | 18 | 16 | -0.1 | CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070248 | 76895 | 0 | None | -9 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1495 | 39 | 18 | 16 | -0.1 | CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
57817763 | 76898 | 0 | None | -38 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1988 | 59 | 26 | 26 | -3.2 | CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
70690940 | 76898 | 0 | None | -38 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1988 | 59 | 26 | 26 | -3.2 | CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
91929808 | 76898 | 0 | None | -38 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1988 | 59 | 26 | 26 | -3.2 | CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070251 | 76898 | 0 | None | -38 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1988 | 59 | 26 | 26 | -3.2 | CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
59149255 | 76899 | 0 | None | -13 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1960 | 58 | 24 | 26 | -2.5 | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
70693082 | 76899 | 0 | None | -13 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1960 | 58 | 24 | 26 | -2.5 | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
91929809 | 76899 | 0 | None | -13 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1960 | 58 | 24 | 26 | -2.5 | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070252 | 76899 | 0 | None | -13 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1960 | 58 | 24 | 26 | -2.5 | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
56851059 | 69045 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1784 | 57 | 24 | 20 | -1.4 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | ||
57390568 | 69045 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1784 | 57 | 24 | 20 | -1.4 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | ||
91930628 | 69045 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1784 | 57 | 24 | 20 | -1.4 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | ||
CHEMBL1923668 | 69045 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1784 | 57 | 24 | 20 | -1.4 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | ||
168279695 | 191111 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 66 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5188196 | 191111 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 66 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
44400864 | 124299 | 0 | None | -177 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 587 | 11 | 3 | 5 | 5.0 | CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
CHEMBL363576 | 124299 | 0 | None | -177 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 587 | 11 | 3 | 5 | 5.0 | CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
11410616 | 65244 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 579 | 7 | 2 | 5 | 5.7 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ncccn3)CC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL182844 | 65244 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 579 | 7 | 2 | 5 | 5.7 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ncccn3)CC2)cc1 | 10.1021/jm0400496 | ||
44322869 | 106133 | 0 | None | -28 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 867 | 11 | 12 | 9 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL313690 | 106133 | 0 | None | -28 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 867 | 11 | 12 | 9 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
44434603 | 89884 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 409 | 10 | 2 | 2 | 4.9 | NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237935 | 89884 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 409 | 10 | 2 | 2 | 4.9 | NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434686 | 146575 | 0 | None | -10 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 407 | 11 | 3 | 3 | 4.7 | CC(Cc1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL392316 | 146575 | 0 | None | -10 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 407 | 11 | 3 | 3 | 4.7 | CC(Cc1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 | 10.1016/j.bmc.2007.06.003 | ||
23635237 | 91424 | 0 | None | -53 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1021/jm070806a | ||
CHEMBL240364 | 91424 | 0 | None | -53 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1021/jm070806a | ||
23635237 | 91424 | 0 | None | -53 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL240364 | 91424 | 0 | None | -53 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | ||
44434688 | 89144 | 0 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236640 | 89144 | 0 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434690 | 89277 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236861 | 89277 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434587 | 89409 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 6 | 2 | 3 | 3.9 | NCCN(C(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237094 | 89409 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 6 | 2 | 3 | 3.9 | NCCN(C(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434849 | 146831 | 0 | None | -16 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 411 | 9 | 2 | 2 | 5.2 | NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL392521 | 146831 | 0 | None | -16 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 411 | 9 | 2 | 2 | 5.2 | NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | ||
168295173 | 192287 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5206293 | 192287 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
44562414 | 176793 | 0 | None | -13 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 2 | 5 | 3.9 | CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
CHEMBL460942 | 176793 | 0 | None | -13 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 2 | 5 | 3.9 | CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
CHEMBL2370965 | 209945 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
44434597 | 89584 | 0 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 3.9 | NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237530 | 89584 | 0 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 3.9 | NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44577093 | 178622 | 0 | None | -42 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 9 | 2 | 5 | 4.7 | COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL467587 | 178622 | 0 | None | -42 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 9 | 2 | 5 | 4.7 | COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 | 10.1016/j.bmc.2008.03.072 | ||
23635235 | 166477 | 0 | None | -223 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1021/jm070806a | ||
CHEMBL427860 | 166477 | 0 | None | -223 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1021/jm070806a | ||
23635236 | 91572 | 0 | None | -60 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 4.6 | CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL240780 | 91572 | 0 | None | -60 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 4.6 | CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
44434584 | 151918 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL396638 | 151918 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
10180932 | 89378 | 0 | None | -6 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237051 | 89378 | 0 | None | -6 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434658 | 90206 | 0 | None | -3 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238342 | 90206 | 0 | None | -3 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | ||
10225762 | 145792 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 448 | 14 | 2 | 3 | 5.5 | CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL391707 | 145792 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 448 | 14 | 2 | 3 | 5.5 | CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | ||
2683 | 102861 | 25 | None | -478 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102861 | 25 | None | -478 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102861 | 25 | None | -478 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
44400934 | 70584 | 0 | None | -173 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 587 | 10 | 2 | 5 | 4.9 | CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
CHEMBL194987 | 70584 | 0 | None | -173 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 587 | 10 | 2 | 5 | 4.9 | CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
44400813 | 71057 | 0 | None | -120 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 603 | 12 | 4 | 6 | 3.9 | O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
CHEMBL195308 | 71057 | 0 | None | -120 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 603 | 12 | 4 | 6 | 3.9 | O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
11785893 | 66990 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 530 | 6 | 2 | 3 | 6.0 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)O1 | 10.1021/jm0400496 | ||
CHEMBL187022 | 66990 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 530 | 6 | 2 | 3 | 6.0 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)O1 | 10.1021/jm0400496 | ||
10108894 | 89708 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237693 | 89708 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | ||
44434621 | 146280 | 0 | None | -11 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 561 | 9 | 1 | 5 | 6.4 | COc1ccc2c(c1)c(CC(=O)N(CCCCN)C13CC4CC(CC(C4)C1)C3)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL392094 | 146280 | 0 | None | -11 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 561 | 9 | 1 | 5 | 6.4 | COc1ccc2c(c1)c(CC(=O)N(CCCCN)C13CC4CC(CC(C4)C1)C3)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.bmc.2007.06.003 | ||
11477853 | 66864 | 0 | None | 38 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | ||
CHEMBL186439 | 66864 | 0 | None | 38 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | ||
44434568 | 89147 | 0 | None | -81 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 613 | 8 | 2 | 5 | 4.8 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCNCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | ||
CHEMBL236650 | 89147 | 0 | None | -81 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 613 | 8 | 2 | 5 | 4.8 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCNCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | ||
23635236 | 91572 | 0 | None | -60 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 4.6 | CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm070806a | ||
CHEMBL240780 | 91572 | 0 | None | -60 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 4.6 | CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm070806a | ||
11443753 | 66816 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 516 | 10 | 2 | 2 | 7.0 | CCCN(CCC)/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | ||
CHEMBL186189 | 66816 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 516 | 10 | 2 | 2 | 7.0 | CCCN(CCC)/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | ||
44434696 | 149174 | 0 | None | -36 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 609 | 11 | 3 | 3 | 8.4 | NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394394 | 149174 | 0 | None | -36 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 609 | 11 | 3 | 3 | 8.4 | NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44265487 | 97354 | 0 | None | -1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 256 | 6 | 4 | 2 | 1.8 | N=C(N)NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL269689 | 97354 | 0 | None | -1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 256 | 6 | 4 | 2 | 1.8 | N=C(N)NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
10025669 | 97363 | 0 | None | -57 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL269776 | 97363 | 0 | None | -57 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
25444 | 155627 | 6 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1229 | 14 | 17 | 29 | -6.5 | C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C | nan | ||
CHEMBL404811 | 155627 | 6 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1229 | 14 | 17 | 29 | -6.5 | C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C | nan | ||
CHEMBL412523 | 212977 | 0 | None | -125 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | ||||
8447 | 188925 | 84 | None | -50 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
CHEMBL508112 | 188925 | 84 | None | -50 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
44265711 | 206966 | 0 | None | -2 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL9138 | 206966 | 0 | None | -2 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
44434847 | 88928 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 553 | 11 | 4 | 2 | 7.0 | N=C(N)NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236442 | 88928 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 553 | 11 | 4 | 2 | 7.0 | N=C(N)NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434864 | 90220 | 0 | None | -13 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | N[C@H]1CC[C@H](NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238369 | 90220 | 0 | None | -13 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | N[C@H]1CC[C@H](NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
3198 | 205490 | 76 | None | -81 | 34 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 205490 | 76 | None | -81 | 34 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 205490 | 76 | None | -81 | 34 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
44433439 | 89895 | 0 | None | -44 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | ||
CHEMBL237976 | 89895 | 0 | None | -44 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | ||
44434684 | 146574 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 12 | 2 | 2 | 5.0 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL392315 | 146574 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 12 | 2 | 2 | 5.0 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44265312 | 205644 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 286 | 4 | 2 | 1 | 4.6 | c1ccc2c(CNCc3c[nH]c4ccccc34)cccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8208 | 205644 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 286 | 4 | 2 | 1 | 4.6 | c1ccc2c(CNCc3c[nH]c4ccccc34)cccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
51346770 | 58197 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 643 | 11 | 2 | 8 | 3.5 | COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O | 10.1016/j.bmcl.2011.01.011 | ||
CHEMBL1682209 | 58197 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 643 | 11 | 2 | 8 | 3.5 | COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O | 10.1016/j.bmcl.2011.01.011 | ||
44577094 | 178623 | 0 | None | -117 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 546 | 10 | 1 | 4 | 5.3 | CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL467588 | 178623 | 0 | None | -117 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 546 | 10 | 1 | 4 | 5.3 | CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | ||
44434766 | 154690 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 9 | 2 | 3 | 6.9 | N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL399810 | 154690 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 9 | 2 | 3 | 6.9 | N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44320339 | 206100 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 6.0 | NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | ||
CHEMBL85918 | 206100 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 6.0 | NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | ||
10025669 | 97363 | 0 | None | -57 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | ||
CHEMBL269776 | 97363 | 0 | None | -57 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | ||
CHEMBL385465 | 212328 | 0 | None | -44 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | ||||
CHEMBL2070244 | 209161 | 0 | None | -4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||||
59149266 | 76897 | 0 | None | -234 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
70693081 | 76897 | 0 | None | -234 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
91929807 | 76897 | 0 | None | -234 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070250 | 76897 | 0 | None | -234 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
44347331 | 16295 | 0 | None | -257 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
CHEMBL122773 | 16295 | 0 | None | -257 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
44577063 | 188076 | 0 | None | -74 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 544 | 8 | 1 | 4 | 4.9 | CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL498150 | 188076 | 0 | None | -74 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 544 | 8 | 1 | 4 | 4.9 | CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | ||
71458055 | 78999 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 599 | 6 | 2 | 5 | 3.7 | CC(=O)N1CCCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21 | 10.1016/j.bmcl.2005.07.035 | ||
CHEMBL2113133 | 78999 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 599 | 6 | 2 | 5 | 3.7 | CC(=O)N1CCCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21 | 10.1016/j.bmcl.2005.07.035 | ||
44434689 | 89146 | 0 | None | -33 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 431 | 14 | 2 | 2 | 5.9 | NCCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236649 | 89146 | 0 | None | -33 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 431 | 14 | 2 | 2 | 5.9 | NCCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434861 | 90218 | 0 | None | -9 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | N[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238367 | 90218 | 0 | None | -9 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | N[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
168285313 | 191377 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5192562 | 191377 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
44265374 | 206465 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 454 | 10 | 2 | 2 | 6.4 | O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8825 | 206465 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 454 | 10 | 2 | 2 | 6.4 | O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL415661 | 213175 | 0 | None | -295 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | ||||
10283036 | 140218 | 0 | None | -72 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 647 | 11 | 2 | 5 | 5.2 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C(C)(C)N2)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
CHEMBL380540 | 140218 | 0 | None | -72 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 647 | 11 | 2 | 5 | 5.2 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C(C)(C)N2)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
44265749 | 207199 | 0 | None | -4 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL9274 | 207199 | 0 | None | -4 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
44434778 | 89714 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237702 | 89714 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
10178845 | 89885 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 8 | 2 | 3 | 3.8 | NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237937 | 89885 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 8 | 2 | 3 | 3.8 | NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434762 | 152986 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 579 | 11 | 2 | 4 | 7.7 | COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL397550 | 152986 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 579 | 11 | 2 | 4 | 7.7 | COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
44265309 | 205639 | 1 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 214 | 5 | 2 | 2 | 2.3 | NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8201 | 205639 | 1 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 214 | 5 | 2 | 2 | 2.3 | NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
68617 | 205504 | 62 | None | -21 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL1709 | 205504 | 62 | None | -21 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL809 | 205504 | 62 | None | -21 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
11433304 | 66639 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 591 | 8 | 2 | 3 | 6.9 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL185398 | 66639 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 591 | 8 | 2 | 3 | 6.9 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm0400496 | ||
44434704 | 89143 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1ccccc1CN(C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236639 | 89143 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1ccccc1CN(C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434780 | 148148 | 0 | None | -9 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 525 | 8 | 2 | 2 | 7.3 | NC1CCC(CC2CCC(N(C(=O)CCCc3c[nH]c4ccccc34)C3CCc4ccccc4C3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393568 | 148148 | 0 | None | -9 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 525 | 8 | 2 | 2 | 7.3 | NC1CCC(CC2CCC(N(C(=O)CCCc3c[nH]c4ccccc34)C3CCc4ccccc4C3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44265351 | 205742 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 426 | 8 | 2 | 3 | 4.7 | N[C@H](CCC(=O)O)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8287 | 205742 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 426 | 8 | 2 | 3 | 4.7 | N[C@H](CCC(=O)O)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
56851057 | 69043 | 0 | None | -190 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1069 | 34 | 13 | 10 | 1.3 | C#CCCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O | 10.1021/jm201226w | ||
CHEMBL1923664 | 69043 | 0 | None | -190 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1069 | 34 | 13 | 10 | 1.3 | C#CCCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O | 10.1021/jm201226w | ||
44434662 | 88485 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235137 | 88485 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434636 | 89271 | 0 | None | 1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 469 | 12 | 3 | 3 | 5.6 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236841 | 89271 | 0 | None | 1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 469 | 12 | 3 | 3 | 5.6 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434647 | 89561 | 0 | None | -7 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.3 | NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237483 | 89561 | 0 | None | -7 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.3 | NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2007.06.003 | ||
44397028 | 124005 | 0 | None | -61 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 12 | 3 | 6 | 3.6 | COc1cccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2005.05.017 | ||
CHEMBL363019 | 124005 | 0 | None | -61 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 12 | 3 | 6 | 3.6 | COc1cccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2005.05.017 | ||
44434690 | 89277 | 0 | None | -8 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236861 | 89277 | 0 | None | -8 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44265472 | 206332 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 245 | 6 | 5 | 2 | 1.1 | N=C(N)NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8742 | 206332 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 245 | 6 | 5 | 2 | 1.1 | N=C(N)NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL441760 | 213873 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
44397030 | 67339 | 0 | None | -57 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 3.6 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
CHEMBL188651 | 67339 | 0 | None | -57 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 3.6 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
44347105 | 113319 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 724 | 9 | 10 | 7 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL331728 | 113319 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 724 | 9 | 10 | 7 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
44434854 | 90000 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 573 | 10 | 2 | 2 | 8.6 | CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238153 | 90000 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 573 | 10 | 2 | 2 | 8.6 | CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
44434855 | 90001 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238154 | 90001 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
44347082 | 163884 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL420727 | 163884 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
44347081 | 168603 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL436169 | 168603 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
44434772 | 88568 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235582 | 88568 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434690 | 89277 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236861 | 89277 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
10109225 | 154648 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 361 | 8 | 2 | 3 | 3.2 | NCCCN(C/C=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL399624 | 154648 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 361 | 8 | 2 | 3 | 3.2 | NCCCN(C/C=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434867 | 88494 | 0 | None | -22 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235162 | 88494 | 0 | None | -22 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | ||
44434714 | 148368 | 0 | None | -10 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 486 | 9 | 2 | 3 | 6.4 | NC1CCC(CC2CCC(N(Cc3ccccn3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393753 | 148368 | 0 | None | -10 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 486 | 9 | 2 | 3 | 6.4 | NC1CCC(CC2CCC(N(Cc3ccccn3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL2070242 | 209160 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||||
11237444 | 127439 | 0 | None | 245 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | ||
CHEMBL366042 | 127439 | 0 | None | 245 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | ||
11249545 | 66174 | 0 | None | 61 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | ||
CHEMBL184432 | 66174 | 0 | None | 61 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | ||
11752660 | 66147 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 515 | 6 | 2 | 3 | 5.1 | CN1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1 | 10.1021/jm0400496 | ||
CHEMBL184323 | 66147 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 515 | 6 | 2 | 3 | 5.1 | CN1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1 | 10.1021/jm0400496 | ||
16007264 | 79691 | 0 | None | -26 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | ||
CHEMBL211564 | 79691 | 0 | None | -26 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | ||
16007264 | 79691 | 0 | None | -26 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1021/jm701137s | ||
CHEMBL211564 | 79691 | 0 | None | -26 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1021/jm701137s | ||
44347110 | 114082 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 681 | 9 | 9 | 7 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL332762 | 114082 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 681 | 9 | 9 | 7 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
1338 | 3778 | 43 | None | -154 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm0311285 | ||
9938402 | 3778 | 43 | None | -154 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm0311285 | ||
CHEMBL339053 | 3778 | 43 | None | -154 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm0311285 | ||
44434713 | 89567 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 541 | 11 | 2 | 3 | 7.5 | COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237502 | 89567 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 541 | 11 | 2 | 3 | 7.5 | COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434855 | 90001 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238154 | 90001 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
44265713 | 206808 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 364 | 6 | 3 | 4 | 1.9 | O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL9048 | 206808 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 364 | 6 | 3 | 4 | 1.9 | O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
44434663 | 88486 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 483 | 13 | 3 | 3 | 5.9 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235138 | 88486 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 483 | 13 | 3 | 3 | 5.9 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
24740655 | 89057 | 0 | None | -891 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 643 | 12 | 1 | 5 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1016/j.bmcl.2007.07.097 | ||
CHEMBL236521 | 89057 | 0 | None | -891 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 643 | 12 | 1 | 5 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1016/j.bmcl.2007.07.097 | ||
24740655 | 89057 | 0 | None | -891 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 643 | 12 | 1 | 5 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | ||
CHEMBL236521 | 89057 | 0 | None | -891 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 643 | 12 | 1 | 5 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | ||
44434760 | 88488 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 519 | 9 | 2 | 2 | 7.6 | NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235140 | 88488 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 519 | 9 | 2 | 2 | 7.6 | NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434764 | 88531 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 551 | 10 | 2 | 2 | 7.8 | NC1CCC(CC2CCC(N(CCc3c(F)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235358 | 88531 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 551 | 10 | 2 | 2 | 7.8 | NC1CCC(CC2CCC(N(CCc3c(F)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
10157774 | 89272 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236842 | 89272 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434859 | 90005 | 0 | None | -29 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | NC1CCCC(NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238158 | 90005 | 0 | None | -29 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | NC1CCCC(NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)C1 | 10.1016/j.bmc.2007.06.003 | ||
168295173 | 192287 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
CHEMBL5206293 | 192287 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | ||
44456219 | 155414 | 0 | None | -112 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | ||
CHEMBL403806 | 155414 | 0 | None | -112 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | ||
44347219 | 16548 | 0 | None | -1071 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||
CHEMBL123938 | 16548 | 0 | None | -1071 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||
25211670 | 174236 | 0 | None | -56 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 4.0 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
CHEMBL454916 | 174236 | 0 | None | -56 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 4.0 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
44562460 | 189241 | 0 | None | -165 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 533 | 10 | 3 | 5 | 3.8 | CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
CHEMBL511826 | 189241 | 0 | None | -165 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 533 | 10 | 3 | 5 | 3.8 | CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
6918850 | 125396 | 1 | None | -154 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 12 | 3 | 6 | 3.6 | COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1 | 10.1016/j.bmcl.2005.05.017 | ||
CHEMBL364560 | 125396 | 1 | None | -154 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 12 | 3 | 6 | 3.6 | COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1 | 10.1016/j.bmcl.2005.05.017 | ||
44434690 | 89277 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236861 | 89277 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434654 | 89992 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.4 | NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)/C=C/c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238134 | 89992 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.4 | NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)/C=C/c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434665 | 147924 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 378 | 10 | 3 | 3 | 3.2 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393383 | 147924 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 378 | 10 | 3 | 3 | 3.2 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434772 | 88568 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235582 | 88568 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434778 | 89714 | 0 | None | -10 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237702 | 89714 | 0 | None | -10 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434595 | 148848 | 0 | None | -7 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 419 | 9 | 2 | 3 | 5.6 | CC(c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394149 | 148848 | 0 | None | -7 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 419 | 9 | 2 | 3 | 5.6 | CC(c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
6918844 | 168598 | 1 | None | -173 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 606 | 12 | 2 | 6 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF | 10.1016/j.bmcl.2005.03.053 | ||
CHEMBL436122 | 168598 | 1 | None | -173 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 606 | 12 | 2 | 6 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF | 10.1016/j.bmcl.2005.03.053 | ||
11179871 | 124198 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 4.5 | O=C1CN(/C(=N\C2CCCCC2)Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CCN1 | 10.1021/jm0400496 | ||
CHEMBL363440 | 124198 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 4.5 | O=C1CN(/C(=N\C2CCCCC2)Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CCN1 | 10.1021/jm0400496 | ||
44434855 | 90001 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238154 | 90001 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
44265591 | 172019 | 0 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 499 | 12 | 7 | 4 | 2.3 | N=C(N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL447178 | 172019 | 0 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 499 | 12 | 7 | 4 | 2.3 | N=C(N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(02)00089-6 | ||
44434634 | 89270 | 0 | None | -31 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 557 | 11 | 1 | 5 | 6.5 | COc1ccc2c(c1)c(CC(=O)N(CCCCN)C/C(C)=C/c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236840 | 89270 | 0 | None | -31 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 557 | 11 | 1 | 5 | 6.5 | COc1ccc2c(c1)c(CC(=O)N(CCCCN)C/C(C)=C/c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44323020 | 168972 | 0 | None | -741 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL439188 | 168972 | 0 | None | -741 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL1923663 | 209063 | 0 | None | -31 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm201226w | ||||
10134057 | 88628 | 0 | None | -32 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 375 | 8 | 2 | 3 | 3.6 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235815 | 88628 | 0 | None | -32 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 375 | 8 | 2 | 3 | 3.6 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
11786860 | 66304 | 1 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 614 | 9 | 4 | 6 | 3.4 | CC(N[C@H]1CCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | ||
CHEMBL185035 | 66304 | 1 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 614 | 9 | 4 | 6 | 3.4 | CC(N[C@H]1CCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | ||
44432964 | 87424 | 0 | None | -1513 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 558 | 14 | 0 | 5 | 7.2 | CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | ||
CHEMBL233372 | 87424 | 0 | None | -1513 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 558 | 14 | 0 | 5 | 7.2 | CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | ||
CHEMBL2370154 | 209778 | 0 | None | -6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm020021z | ||||
11215758 | 66049 | 0 | None | -125 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 624 | 9 | 3 | 6 | 5.0 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.10.096 | ||
CHEMBL183799 | 66049 | 0 | None | -125 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 624 | 9 | 3 | 6 | 5.0 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.10.096 | ||
24180592 | 96984 | 0 | None | -177 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 560 | 11 | 1 | 4 | 5.7 | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1021/jm701137s | ||
CHEMBL266647 | 96984 | 0 | None | -177 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 560 | 11 | 1 | 4 | 5.7 | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1021/jm701137s | ||
44265708 | 166795 | 0 | None | -2 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL428480 | 166795 | 0 | None | -2 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL11359 | 9748 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | ||||
44434821 | 89999 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 441 | 10 | 4 | 2 | 4.5 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238149 | 89999 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 441 | 10 | 4 | 2 | 4.5 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL427666 | 213341 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O | 10.1021/jm0501432 | ||||
44434848 | 88939 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236443 | 88939 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | ||
44347840 | 161900 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
91932630 | 161900 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL415333 | 161900 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
44347220 | 168416 | 0 | None | -251 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 861 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL434985 | 168416 | 0 | None | -251 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 861 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
44434766 | 154690 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 510 | 9 | 2 | 3 | 6.9 | N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL399810 | 154690 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 510 | 9 | 2 | 3 | 6.9 | N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44322795 | 206903 | 0 | None | -114 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL91041 | 206903 | 0 | None | -114 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
44265715 | 10153 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL1159702 | 10153 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | ||
44434856 | 154368 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 535 | 14 | 2 | 4 | 5.0 | NCCCN1CCN(CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL398777 | 154368 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 535 | 14 | 2 | 4 | 5.0 | NCCCN1CCN(CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44577091 | 178643 | 0 | None | -19 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 10 | 2 | 5 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
CHEMBL467772 | 178643 | 0 | None | -19 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 10 | 2 | 5 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | ||
44434778 | 89714 | 0 | None | -10 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237702 | 89714 | 0 | None | -10 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434651 | 89871 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 495 | 13 | 3 | 3 | 6.1 | NCCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237911 | 89871 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 495 | 13 | 3 | 3 | 6.1 | NCCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434698 | 171001 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 649 | 12 | 3 | 5 | 8.1 | COC(=O)c1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL445669 | 171001 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 649 | 12 | 3 | 5 | 8.1 | COC(=O)c1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44400863 | 69135 | 0 | None | -151 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 602 | 11 | 2 | 6 | 5.8 | CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
CHEMBL192464 | 69135 | 0 | None | -151 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 602 | 11 | 2 | 6 | 5.8 | CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
44434855 | 90001 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238154 | 90001 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
44434785 | 148767 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 623 | 11 | 2 | 4 | 7.8 | COc1cc(Br)c(CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@@H](N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394074 | 148767 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 623 | 11 | 2 | 4 | 7.8 | COc1cc(Br)c(CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@@H](N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
11295934 | 66945 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 558 | 8 | 3 | 2 | 7.1 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\Cc2cc(F)cc(F)c2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL186792 | 66945 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 558 | 8 | 3 | 2 | 7.1 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\Cc2cc(F)cc(F)c2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | ||
10325955 | 165247 | 0 | None | -6 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 582 | 8 | 2 | 6 | 3.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1021/jm0304109 | ||
CHEMBL423101 | 165247 | 0 | None | -6 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 582 | 8 | 2 | 6 | 3.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1021/jm0304109 | ||
71452732 | 79005 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 697 | 8 | 2 | 6 | 4.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.07.035 | ||
CHEMBL2113139 | 79005 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 697 | 8 | 2 | 6 | 4.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.07.035 | ||
44347330 | 168039 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL432407 | 168039 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
70693083 | 76900 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
91929813 | 76900 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
CHEMBL2070253 | 76900 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | ||
24740653 | 88563 | 0 | None | -190 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 540 | 11 | 1 | 4 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | ||
CHEMBL235556 | 88563 | 0 | None | -190 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 540 | 11 | 1 | 4 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | ||
2726 | 916 | 68 | None | -112 | 73 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 916 | 68 | None | -112 | 73 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 916 | 68 | None | -112 | 73 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 916 | 68 | None | -112 | 73 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 916 | 68 | None | -112 | 73 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL407213 | 212625 | 0 | None | -169 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | ||||
11180881 | 66791 | 1 | None | -47 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 11 | 3 | 6 | 4.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCCNC1 | 10.1016/j.bmcl.2004.08.055 | ||
CHEMBL186074 | 66791 | 1 | None | -47 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 11 | 3 | 6 | 4.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCCNC1 | 10.1016/j.bmcl.2004.08.055 | ||
44434695 | 89397 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 503 | 9 | 2 | 2 | 7.1 | NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237070 | 89397 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 503 | 9 | 2 | 2 | 7.1 | NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434768 | 154691 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 553 | 9 | 2 | 2 | 8.3 | NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL399811 | 154691 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 553 | 9 | 2 | 2 | 8.3 | NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44400660 | 70701 | 0 | None | -301 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 558 | 10 | 2 | 5 | 4.8 | CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
CHEMBL195071 | 70701 | 0 | None | -301 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 558 | 10 | 2 | 5 | 4.8 | CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | ||
44396002 | 124748 | 0 | None | -17 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 587 | 11 | 2 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1 | 10.1016/j.bmcl.2004.08.055 | ||
CHEMBL364215 | 124748 | 0 | None | -17 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 587 | 11 | 2 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1 | 10.1016/j.bmcl.2004.08.055 | ||
10158674 | 147890 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.4 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393359 | 147890 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.4 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44265589 | 206297 | 0 | None | -2 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 499 | 12 | 7 | 4 | 2.3 | N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL8720 | 206297 | 0 | None | -2 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 499 | 12 | 7 | 4 | 2.3 | N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(02)00089-6 | ||
44265479 | 206066 | 0 | None | -1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 268 | 2 | 2 | 2 | 1.9 | N=C(N)N1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8561 | 206066 | 0 | None | -1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 268 | 2 | 2 | 2 | 1.9 | N=C(N)N1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(02)00088-4 | ||
44434713 | 89567 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 541 | 11 | 2 | 3 | 7.5 | COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237502 | 89567 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 541 | 11 | 2 | 3 | 7.5 | COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
16172929 | 212978 | 15 | None | -87 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | ||||
CHEMBL412536 | 212978 | 15 | None | -87 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | ||||
44434754 | 90207 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 557 | 11 | 3 | 4 | 7.2 | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238345 | 90207 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 557 | 11 | 3 | 4 | 7.2 | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
11365127 | 124062 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 569 | 7 | 2 | 3 | 6.6 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCC(N3CCCC3)CC2)cc1 | 10.1021/jm0400496 | ||
CHEMBL363290 | 124062 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 569 | 7 | 2 | 3 | 6.6 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCC(N3CCCC3)CC2)cc1 | 10.1021/jm0400496 | ||
44434782 | 89998 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 511 | 10 | 2 | 2 | 7.5 | NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238144 | 89998 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 511 | 10 | 2 | 2 | 7.5 | NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434772 | 88568 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235582 | 88568 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434637 | 89383 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.3 | NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237052 | 89383 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.3 | NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL409636 | 212750 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm030119t | ||||
44456222 | 97897 | 0 | None | -676 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | ||
CHEMBL272538 | 97897 | 0 | None | -676 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | ||
44434666 | 88530 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 5.8 | NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235356 | 88530 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 5.8 | NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434650 | 89870 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 389 | 11 | 2 | 2 | 4.8 | NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237910 | 89870 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 389 | 11 | 2 | 2 | 4.8 | NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434648 | 148135 | 0 | None | -1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393558 | 148135 | 0 | None | -1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44393421 | 123077 | 0 | None | -5 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 3.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
CHEMBL361052 | 123077 | 0 | None | -5 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 3.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
44434797 | 88573 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235590 | 88573 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434691 | 89396 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 11 | 2 | 4 | 7.0 | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237069 | 89396 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 11 | 2 | 4 | 7.0 | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
44434770 | 88532 | 0 | None | -46 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 521 | 9 | 2 | 2 | 7.3 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235359 | 88532 | 0 | None | -46 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 521 | 9 | 2 | 2 | 7.3 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44265473 | 206333 | 1 | None | -9 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 200 | 4 | 2 | 2 | 1.9 | NCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
CHEMBL8743 | 206333 | 1 | None | -9 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 200 | 4 | 2 | 2 | 1.9 | NCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | ||
44434690 | 89876 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | N[C@H]1CC[C@H](C[C@H]2CC[C@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237920 | 89876 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | N[C@H]1CC[C@H](C[C@H]2CC[C@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
24180646 | 148158 | 0 | None | -1202 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | ||
CHEMBL393576 | 148158 | 0 | None | -1202 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | ||
24180646 | 148158 | 0 | None | -1202 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1021/jm701137s | ||
CHEMBL393576 | 148158 | 0 | None | -1202 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1021/jm701137s | ||
44434633 | 89141 | 0 | None | -35 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 423 | 11 | 2 | 2 | 5.3 | NCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236630 | 89141 | 0 | None | -35 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 423 | 11 | 2 | 2 | 5.3 | NCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434699 | 89471 | 0 | None | -26 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 531 | 10 | 2 | 3 | 7.7 | CSc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237290 | 89471 | 0 | None | -26 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 531 | 10 | 2 | 3 | 7.7 | CSc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
24741624 | 138355 | 0 | None | -6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.9 | COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 | 10.1016/j.bmcl.2006.06.075 | ||
CHEMBL377231 | 138355 | 0 | None | -6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.9 | COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 | 10.1016/j.bmcl.2006.06.075 | ||
24741624 | 138355 | 0 | None | -6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.9 | COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 | 10.1021/jm701137s | ||
CHEMBL377231 | 138355 | 0 | None | -6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.9 | COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 | 10.1021/jm701137s | ||
1338 | 3778 | 43 | None | -154 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2004.06.059 | ||
9938402 | 3778 | 43 | None | -154 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2004.06.059 | ||
CHEMBL339053 | 3778 | 43 | None | -154 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2004.06.059 | ||
44265639 | 10147 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL1159697 | 10147 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | ||
44434884 | 88582 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235617 | 88582 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | ||
44434690 | 89277 | 0 | None | -8 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236861 | 89277 | 0 | None | -8 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434655 | 89993 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 12 | 2 | 2 | 5.6 | C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238135 | 89993 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 12 | 2 | 2 | 5.6 | C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
10260053 | 168179 | 0 | None | -6 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | ||
CHEMBL433413 | 168179 | 0 | None | -6 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | ||
44432932 | 87725 | 0 | None | -263 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 574 | 14 | 2 | 6 | 6.6 | CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | ||
CHEMBL233758 | 87725 | 0 | None | -263 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 574 | 14 | 2 | 6 | 6.6 | CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | ||
44434700 | 149485 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 637 | 12 | 3 | 4 | 9.0 | CSc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394645 | 149485 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 637 | 12 | 3 | 4 | 9.0 | CSc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44434762 | 152986 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 579 | 11 | 2 | 4 | 7.7 | COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL397550 | 152986 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 579 | 11 | 2 | 4 | 7.7 | COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
10155513 | 151517 | 0 | None | -9 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 361 | 8 | 2 | 2 | 4.0 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL396303 | 151517 | 0 | None | -9 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 361 | 8 | 2 | 2 | 4.0 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
176 | 397 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 397 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 397 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 397 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 397 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
1212 | 1649 | 50 | None | -416 | 66 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1649 | 50 | None | -416 | 66 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1649 | 50 | None | -416 | 66 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1649 | 50 | None | -416 | 66 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1649 | 50 | None | -416 | 66 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
1324 | 301 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | ||||
16154396 | 301 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | ||||
16197727 | 301 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | ||||
44285019 | 301 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | ||||
57514683 | 301 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | ||||
91898441 | 301 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | ||||
CHEMBL441738 | 301 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | ||||
DB04931 | 301 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | ||||
11318528 | 66225 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 528 | 7 | 2 | 2 | 7.1 | CN(/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1)C1CCCCC1 | 10.1021/jm0400496 | ||
CHEMBL184612 | 66225 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 528 | 7 | 2 | 2 | 7.1 | CN(/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1)C1CCCCC1 | 10.1021/jm0400496 | ||
44410803 | 140147 | 0 | None | -87 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 633 | 12 | 2 | 5 | 5.0 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
CHEMBL380365 | 140147 | 0 | None | -87 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 633 | 12 | 2 | 5 | 5.0 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
44434880 | 88581 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 10 | 2 | 2 | 6.4 | NCC1CCCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235616 | 88581 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 10 | 2 | 2 | 6.4 | NCC1CCCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | ||
44434709 | 89746 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 563 | 9 | 2 | 2 | 7.7 | NC1CCC(CC2CCC(N(Cc3ccccc3Br)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237714 | 89746 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 563 | 9 | 2 | 2 | 7.7 | NC1CCC(CC2CCC(N(Cc3ccccc3Br)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44434854 | 90000 | 0 | None | -1 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 573 | 10 | 2 | 2 | 8.6 | CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL238153 | 90000 | 0 | None | -1 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 573 | 10 | 2 | 2 | 8.6 | CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | ||
44434787 | 148768 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 729 | 13 | 3 | 5 | 9.1 | COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@H](N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394075 | 148768 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 729 | 13 | 3 | 5 | 9.1 | COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@H](N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | ||
44434605 | 149490 | 0 | None | -13 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 356 | 10 | 1 | 3 | 4.4 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL394647 | 149490 | 0 | None | -13 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 356 | 10 | 1 | 3 | 4.4 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1 | 10.1016/j.bmc.2007.06.003 | ||
10304463 | 76745 | 0 | None | -9 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 615 | 11 | 1 | 5 | 5.6 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
CHEMBL206840 | 76745 | 0 | None | -9 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 615 | 11 | 1 | 5 | 5.6 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
44397198 | 66735 | 0 | None | -120 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 3.6 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
CHEMBL185862 | 66735 | 0 | None | -120 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 3.6 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | ||
10291370 | 145941 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 7 | 2 | 2 | 4.1 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL391823 | 145941 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 7 | 2 | 2 | 4.1 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | ||
44434772 | 88568 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235582 | 88568 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
44393450 | 123628 | 0 | None | -2 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 518 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
CHEMBL362010 | 123628 | 0 | None | -2 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 518 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
44562287 | 174224 | 0 | None | -102 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 3.9 | CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
CHEMBL454900 | 174224 | 0 | None | -102 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 3.9 | CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
6918857 | 138684 | 1 | None | -33 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 619 | 11 | 2 | 5 | 4.4 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
CHEMBL377961 | 138684 | 1 | None | -33 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 619 | 11 | 2 | 5 | 4.4 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.10.103 | ||
44434693 | 167323 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 559 | 12 | 2 | 4 | 7.4 | CCOc1cc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL429451 | 167323 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 559 | 12 | 2 | 4 | 7.4 | CCOc1cc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC | 10.1016/j.bmc.2007.06.003 | ||
44265719 | 207107 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | ||
CHEMBL9219 | 207107 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | ||
44434697 | 148669 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 6.8 | COC(=O)c1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL393994 | 148669 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 6.8 | COC(=O)c1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44434759 | 88487 | 0 | None | -23 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 486 | 9 | 2 | 3 | 6.4 | NC1CCC(CC2CCC(N(Cc3ccncc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL235139 | 88487 | 0 | None | -23 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 486 | 9 | 2 | 3 | 6.4 | NC1CCC(CC2CCC(N(Cc3ccncc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
25058412 | 189416 | 0 | None | -120 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 534 | 10 | 3 | 5 | 3.8 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
CHEMBL513404 | 189416 | 0 | None | -120 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 534 | 10 | 3 | 5 | 3.8 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | ||
44434851 | 89880 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 10 | 2 | 2 | 5.7 | NCc1ccc(CN(C/C=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL237930 | 89880 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 10 | 2 | 2 | 5.7 | NCc1ccc(CN(C/C=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | ||
44434761 | 89138 | 0 | None | -14 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 625 | 11 | 3 | 3 | 8.9 | NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
CHEMBL236626 | 89138 | 0 | None | -14 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 625 | 11 | 3 | 3 | 8.9 | NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | ||
10257541 | 126316 | 0 | None | -602 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 575 | 7 | 2 | 7 | 3.0 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H]2CCCC[C@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
CHEMBL365039 | 126316 | 0 | None | -602 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 575 | 7 | 2 | 7 | 3.0 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H]2CCCC[C@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | ||
46877881 | 201795 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
CHEMBL606990 | 201795 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | ||
11296732 | 143788 | 0 | None | -22 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | ||
CHEMBL390130 | 143788 | 0 | None | -22 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | ||
23661656 | 169020 | 0 | None | -181 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 564 | 8 | 1 | 4 | 5.3 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | ||
CHEMBL439560 | 169020 | 0 | None | -181 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 564 | 8 | 1 | 4 | 5.3 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | ||
11296732 | 143788 | 0 | None | -22 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | ||
CHEMBL390130 | 143788 | 0 | None | -22 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | ||
1329 | 313 | 0 | None | -5011 | 3 | Mouse | 4.9 | pKd | None | 4.9 | Binding | Guide to Pharmacology | None | None | None | None | 9454589 | ||||
1320 | 365 | 0 | None | -19 | 3 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
16162729 | 365 | 0 | None | -19 | 3 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
1328 | 1930 | 0 | None | -10 | 4 | Human | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9832440 | ||||
1325 | 3573 | 14 | None | -15 | 7 | Human | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
6440621 | 3573 | 14 | None | -15 | 7 | Human | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
9898183 | 3573 | 14 | None | -15 | 7 | Human | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
CHEMBL3422426 | 3573 | 14 | None | -15 | 7 | Human | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
None | 216283 | 0 | 125I-NDP-MSH | -8511 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 5 | 3 | 6 | -0.3 | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | None | ||
None | 216283 | 0 | 125I-[Nle4,D-Phe7]Alpha-MSH | -8511 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 5 | 3 | 6 | -0.3 | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | None | ||
None | 216284 | 0 | 125I-NDP-MSH | -93 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 961 | 29 | 13 | 12 | -1.5 | CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)O)N | None | ||
None | 216284 | 0 | 125I-[Nle4,D-Phe7]Alpha-MSH | -93 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 961 | 29 | 13 | 12 | -1.5 | CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)O)N | None | ||
3198 | 205490 | 76 | None | -81 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1201049 | 205490 | 76 | None | -81 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL808 | 205490 | 76 | None | -81 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
1016 | 3720 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2561 | 3720 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2733526 | 3720 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
5384 | 3720 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
CHEMBL83 | 3720 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
DB00675 | 3720 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
4189 | 206899 | 96 | None | -61 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL1559 | 206899 | 96 | None | -61 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL91 | 206899 | 96 | None | -61 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
138106885 | 166887 | 75 | None | -3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | ||
36314 | 166887 | 75 | None | -3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | ||
CHEMBL428647 | 166887 | 75 | None | -3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | ||
176 | 397 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2157 | 397 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2566 | 397 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
CHEMBL633 | 397 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
DB01118 | 397 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
1212 | 1649 | 50 | None | -416 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1649 | 50 | None | -416 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1649 | 50 | None | -416 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1649 | 50 | None | -416 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1649 | 50 | None | -416 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
2726 | 916 | 68 | None | -112 | 73 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | None | -112 | 73 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | None | -112 | 73 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | None | -112 | 73 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | None | -112 | 73 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
68617 | 205504 | 62 | None | -21 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
CHEMBL1709 | 205504 | 62 | None | -21 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
CHEMBL809 | 205504 | 62 | None | -21 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
2247 | 504 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
249 | 504 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
2603 | 504 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
CHEMBL296419 | 504 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
DB00637 | 504 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
11993702 | 3566 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
5416 | 3566 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
9272 | 3566 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
CHEMBL3301624 | 3566 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
DB11700 | 3566 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
10408 | 717 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | ||||
5329 | 717 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | ||||
9941379 | 717 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | ||||
CHEMBL2070241 | 717 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | ||||
DB11653 | 717 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | ||||
10408 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | ||||
5329 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | ||||
9941379 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | ||||
CHEMBL2070241 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | ||||
DB11653 | 717 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | ||||
11993702 | 3566 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
5416 | 3566 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
9272 | 3566 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
CHEMBL3301624 | 3566 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
DB11700 | 3566 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
134611880 | 276 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
16132265 | 276 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
3633 | 276 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
4931 | 276 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
CHEMBL1201610 | 276 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
DB01285 | 276 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 |